diff --git a/data/BASIS_RI_AUG_MOLOPT b/data/BASIS_RI_AUG_MOLOPT index 10a2633ab6..ea2ca6ceef 100644 --- a/data/BASIS_RI_AUG_MOLOPT +++ b/data/BASIS_RI_AUG_MOLOPT @@ -1,4 +1,4 @@ -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for H (all-electron) relative DI metric: 1.5e-02 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.5e-02 2 1 0 0 1 1 @@ -6,7 +6,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.5e-02 2 0 0 1 1 2.4579249207 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 3.0e-03 +# RI basis set for H (all-electron) relative DI metric: 3.0e-03 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.0e-03 3 1 0 0 1 1 @@ -16,7 +16,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.0e-03 3 1 1 1 1 0.7007968815 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 2.7e-04 +# RI basis set for H (all-electron) relative DI metric: 2.7e-04 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-04 4 1 0 0 1 1 @@ -28,7 +28,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-04 4 1 1 1 1 0.5432074796 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.3e-04 +# RI basis set for H (all-electron) relative DI metric: 1.3e-04 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_008_s_p_d_f_g_h_i_5_1_0_0_0_0_0_error_1.3e-04 6 1 0 0 1 1 @@ -44,7 +44,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_008_s_p_d_f_g_h_i_5_1_0_0_0_0_0_error_1.3e-04 6 1 1 1 1 0.4900456184 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.3e-06 +# RI basis set for H (all-electron) relative DI metric: 1.3e-06 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_1.3e-06 7 1 0 0 1 1 @@ -62,7 +62,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_1.3e-06 7 1 1 1 1 1.5273474371 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 4.7e-07 +# RI basis set for H (all-electron) relative DI metric: 4.7e-07 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_4.7e-07 10 1 0 0 1 1 @@ -86,7 +86,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_4.7e-07 10 1 1 1 1 1.9915266663 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 3.5e-08 +# RI basis set for H (all-electron) relative DI metric: 3.5e-08 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_3.5e-08 13 1 0 0 1 1 @@ -116,7 +116,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_3.5e-08 13 1 1 1 1 1.9915266667 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.3e-08 +# RI basis set for H (all-electron) relative DI metric: 1.3e-08 H RI_aug-SZV-MOLOPT-ae-SR_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_1.3e-08 15 1 0 0 1 1 @@ -150,7 +150,7 @@ H RI_aug-SZV-MOLOPT-ae-SR_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_1.3e-08 15 2 2 1 1 1.2860533333 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.3e-02 +# RI basis set for H (all-electron) relative DI metric: 1.3e-02 H RI_aug-SZV-MOLOPT-ae_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.3e-02 2 1 0 0 1 1 @@ -158,7 +158,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.3e-02 2 0 0 1 1 2.1834666323 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.3e-04 +# RI basis set for H (all-electron) relative DI metric: 1.3e-04 H RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.3e-04 4 1 0 0 1 1 @@ -170,7 +170,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.3e-04 4 1 1 1 1 0.3741982228 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 4.4e-05 +# RI basis set for H (all-electron) relative DI metric: 4.4e-05 H RI_aug-SZV-MOLOPT-ae_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.4e-05 5 1 0 0 1 1 @@ -184,7 +184,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.4e-05 5 1 1 1 1 0.3674521516 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 2.4e-06 +# RI basis set for H (all-electron) relative DI metric: 2.4e-06 H RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_2.4e-06 6 1 0 0 1 1 @@ -200,7 +200,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_2.4e-06 6 1 1 1 1 1.6074447029 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 9.8e-07 +# RI basis set for H (all-electron) relative DI metric: 9.8e-07 H RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_9.8e-07 7 1 0 0 1 1 @@ -218,7 +218,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_9.8e-07 7 1 1 1 1 1.3163036644 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 3.4e-07 +# RI basis set for H (all-electron) relative DI metric: 3.4e-07 H RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_3.4e-07 10 1 0 0 1 1 @@ -242,7 +242,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_3.4e-07 10 2 2 1 1 0.9794814801 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.1e-07 +# RI basis set for H (all-electron) relative DI metric: 1.1e-07 H RI_aug-SZV-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_1.1e-07 12 1 0 0 1 1 @@ -270,7 +270,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_1.1e-07 12 2 2 1 1 1.2340233898 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 5.1e-08 +# RI basis set for H (all-electron) relative DI metric: 5.1e-08 H RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_5.1e-08 15 1 0 0 1 1 @@ -304,7 +304,7 @@ H RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_5.1e-08 15 2 2 1 1 1.2860533333 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 2.9e-03 +# RI basis set for H (all-electron) relative DI metric: 2.9e-03 H RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_2.9e-03 3 1 0 0 1 1 @@ -314,7 +314,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_2.9e-03 3 1 1 1 1 1.1065929596 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 4.4e-05 +# RI basis set for H (all-electron) relative DI metric: 4.4e-05 H RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.4e-05 5 1 0 0 1 1 @@ -328,7 +328,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.4e-05 5 1 1 1 1 1.4513187711 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.6e-05 +# RI basis set for H (all-electron) relative DI metric: 1.6e-05 H RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_1.6e-05 7 1 0 0 1 1 @@ -346,7 +346,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_1.6e-05 7 1 1 1 1 1.8253246023 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 6.3e-07 +# RI basis set for H (all-electron) relative DI metric: 6.3e-07 H RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.3e-07 8 1 0 0 1 1 @@ -366,7 +366,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.3e-07 8 2 2 1 1 1.2035077028 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.5e-07 +# RI basis set for H (all-electron) relative DI metric: 1.5e-07 H RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.5e-07 9 1 0 0 1 1 @@ -388,7 +388,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.5e-07 9 2 2 1 1 1.5281545369 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 6.1e-08 +# RI basis set for H (all-electron) relative DI metric: 6.1e-08 H RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_6.1e-08 11 1 0 0 1 1 @@ -414,7 +414,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_6.1e-08 11 3 3 1 1 1.3312038025 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 2.9e-08 +# RI basis set for H (all-electron) relative DI metric: 2.9e-08 H RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_6_3_1_0_0_0_error_2.9e-08 17 1 0 0 1 1 @@ -452,7 +452,7 @@ H RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_6_3_1_0_0_0_error_2.9e-08 17 3 3 1 1 1.1981100000 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 9.0e-03 +# RI basis set for H (all-electron) relative DI metric: 9.0e-03 H RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_9.0e-03 5 1 0 0 1 1 @@ -466,7 +466,7 @@ H RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_9.0e-03 5 2 2 1 1 1.2033086289 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 5.9e-04 +# RI basis set for H (all-electron) relative DI metric: 5.9e-04 H RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_5.9e-04 7 1 0 0 1 1 @@ -484,7 +484,7 @@ H RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_5.9e-04 7 2 2 1 1 1.3115890895 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 1.0e-04 +# RI basis set for H (all-electron) relative DI metric: 1.0e-04 H RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.0e-04 8 1 0 0 1 1 @@ -504,7 +504,7 @@ H RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.0e-04 8 2 2 1 1 1.5673930803 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 4.6e-05 +# RI basis set for H (all-electron) relative DI metric: 4.6e-05 H RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.6e-05 9 1 0 0 1 1 @@ -526,7 +526,7 @@ H RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.6e-05 9 2 2 1 1 1.4863697565 1.0000000000 -# RI basis set for H (all-electron) relative accuracy of RI-MP2: 4.5e-06 +# RI basis set for H (all-electron) relative DI metric: 4.5e-06 H RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_4.5e-06 13 1 0 0 1 1 @@ -556,7 +556,7 @@ H RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_4.5e-06 13 2 2 1 1 1.4730352119 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 4.2e-03 +# RI basis set for He (all-electron) relative DI metric: 4.2e-03 He RI_aug-SZV-MOLOPT-ae_N_RI_003_s_p_d_f_g_h_i_3_0_0_0_0_0_0_error_4.2e-03 3 1 0 0 1 1 @@ -566,7 +566,7 @@ He RI_aug-SZV-MOLOPT-ae_N_RI_003_s_p_d_f_g_h_i_3_0_0_0_0_0_0_error_4.2e-03 3 0 0 1 1 11.9714078591 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 2.5e-06 +# RI basis set for He (all-electron) relative DI metric: 2.5e-06 He RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_6_1_0_0_0_0_0_error_2.5e-06 7 1 0 0 1 1 @@ -584,7 +584,7 @@ He RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_6_1_0_0_0_0_0_error_2.5e-06 7 1 1 1 1 0.3001402433 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 7.2e-07 +# RI basis set for He (all-electron) relative DI metric: 7.2e-07 He RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_7.2e-07 10 1 0 0 1 1 @@ -608,7 +608,7 @@ He RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_7.2e-07 10 1 1 1 1 4.1899471264 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 1.4e-07 +# RI basis set for He (all-electron) relative DI metric: 1.4e-07 He RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_1.4e-07 13 1 0 0 1 1 @@ -638,7 +638,7 @@ He RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_1.4e-07 13 3 3 1 1 5.4484895350 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 8.4e-03 +# RI basis set for He (all-electron) relative DI metric: 8.4e-03 He RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_8.4e-03 3 1 0 0 1 1 @@ -648,7 +648,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_8.4e-03 3 1 1 1 1 1.5526672041 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 1.8e-04 +# RI basis set for He (all-electron) relative DI metric: 1.8e-04 He RI_aug-DZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_1.8e-04 5 1 0 0 1 1 @@ -662,7 +662,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_1.8e-04 5 2 2 1 1 0.8890133475 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 4.5e-05 +# RI basis set for He (all-electron) relative DI metric: 4.5e-05 He RI_aug-DZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.5e-05 6 1 0 0 1 1 @@ -678,7 +678,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.5e-05 6 2 2 1 1 0.9644685161 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 9.7e-06 +# RI basis set for He (all-electron) relative DI metric: 9.7e-06 He RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.7e-06 8 1 0 0 1 1 @@ -698,7 +698,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.7e-06 8 2 2 1 1 0.8998154095 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 1.3e-06 +# RI basis set for He (all-electron) relative DI metric: 1.3e-06 He RI_aug-DZVP-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.3e-06 10 1 0 0 1 1 @@ -722,7 +722,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.3e-06 10 2 2 1 1 2.9127472641 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 2.2e-07 +# RI basis set for He (all-electron) relative DI metric: 2.2e-07 He RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_2.2e-07 13 1 0 0 1 1 @@ -752,7 +752,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_2.2e-07 13 2 2 1 1 2.6660108059 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 5.9e-08 +# RI basis set for He (all-electron) relative DI metric: 5.9e-08 He RI_aug-DZVP-MOLOPT-ae_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_5.9e-08 14 1 0 0 1 1 @@ -784,7 +784,7 @@ He RI_aug-DZVP-MOLOPT-ae_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_5.9e-08 14 2 2 1 1 3.5925551628 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 3.7e-02 +# RI basis set for He (all-electron) relative DI metric: 3.7e-02 He RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.7e-02 5 1 0 0 1 1 @@ -798,7 +798,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.7e-02 5 2 2 1 1 2.8667761206 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 1.7e-03 +# RI basis set for He (all-electron) relative DI metric: 1.7e-03 He RI_aug-TZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.7e-03 6 1 0 0 1 1 @@ -814,7 +814,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.7e-03 6 2 2 1 1 2.8517757422 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 4.3e-04 +# RI basis set for He (all-electron) relative DI metric: 4.3e-04 He RI_aug-TZVP-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_3_2_1_1_0_0_0_error_4.3e-04 7 1 0 0 1 1 @@ -832,7 +832,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_3_2_1_1_0_0_0_error_4.3e-04 7 3 3 1 1 1.1880376992 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 3.9e-05 +# RI basis set for He (all-electron) relative DI metric: 3.9e-05 He RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.9e-05 9 1 0 0 1 1 @@ -854,7 +854,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.9e-05 9 3 3 1 1 0.8764308672 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 3.9e-06 +# RI basis set for He (all-electron) relative DI metric: 3.9e-06 He RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_3.9e-06 10 1 0 0 1 1 @@ -878,7 +878,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_3.9e-06 10 3 3 1 1 0.9253742267 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 8.1e-07 +# RI basis set for He (all-electron) relative DI metric: 8.1e-07 He RI_aug-TZVP-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_5_3_2_2_0_0_0_error_8.1e-07 12 1 0 0 1 1 @@ -906,7 +906,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_5_3_2_2_0_0_0_error_8.1e-07 12 3 3 1 1 1.9854582875 1.0000000000 -# RI basis set for He (all-electron) relative accuracy of RI-MP2: 1.7e-07 +# RI basis set for He (all-electron) relative DI metric: 1.7e-07 He RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_4_2_2_0_0_0_error_1.7e-07 14 1 0 0 1 1 @@ -938,7 +938,7 @@ He RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_4_2_2_0_0_0_error_1.7e-07 14 3 3 1 1 1.4760179520 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 4.7e-04 +# RI basis set for Li (all-electron) relative DI metric: 4.7e-04 Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.7e-04 5 1 0 0 1 1 @@ -952,7 +952,7 @@ Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.7e-04 5 1 1 1 1 1.4263325185 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 9.8e-05 +# RI basis set for Li (all-electron) relative DI metric: 9.8e-05 Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_012_s_p_d_f_g_h_i_6_2_0_0_0_0_0_error_9.8e-05 8 1 0 0 1 1 @@ -972,7 +972,7 @@ Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_012_s_p_d_f_g_h_i_6_2_0_0_0_0_0_error_9.8e-05 8 1 1 1 1 1.4399827773 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 9.2e-07 +# RI basis set for Li (all-electron) relative DI metric: 9.2e-07 Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_9.2e-07 9 1 0 0 1 1 @@ -994,7 +994,7 @@ Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_9.2e-07 9 1 1 1 1 4.0128832489 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 4.8e-02 +# RI basis set for Li (all-electron) relative DI metric: 4.8e-02 Li RI_aug-SZV-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.8e-02 3 1 0 0 1 1 @@ -1004,7 +1004,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.8e-02 3 1 1 1 1 1.3737602394 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.0e-02 +# RI basis set for Li (all-electron) relative DI metric: 1.0e-02 Li RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.0e-02 4 1 0 0 1 1 @@ -1016,7 +1016,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.0e-02 4 1 1 1 1 1.3997738808 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 3.8e-03 +# RI basis set for Li (all-electron) relative DI metric: 3.8e-03 Li RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.8e-03 5 1 0 0 1 1 @@ -1030,7 +1030,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.8e-03 5 2 2 1 1 0.7672789281 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.1e-04 +# RI basis set for Li (all-electron) relative DI metric: 1.1e-04 Li RI_aug-SZV-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.1e-04 6 1 0 0 1 1 @@ -1046,7 +1046,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.1e-04 6 2 2 1 1 0.7673096620 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 2.2e-05 +# RI basis set for Li (all-electron) relative DI metric: 2.2e-05 Li RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.2e-05 8 1 0 0 1 1 @@ -1066,7 +1066,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.2e-05 8 2 2 1 1 0.7686702585 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 3.5e-06 +# RI basis set for Li (all-electron) relative DI metric: 3.5e-06 Li RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_3.5e-06 9 1 0 0 1 1 @@ -1088,7 +1088,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_3.5e-06 9 2 2 1 1 2.5158456830 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 8.0e-07 +# RI basis set for Li (all-electron) relative DI metric: 8.0e-07 Li RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_8.0e-07 10 1 0 0 1 1 @@ -1112,7 +1112,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_8.0e-07 10 2 2 1 1 2.3378216974 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 3.9e-07 +# RI basis set for Li (all-electron) relative DI metric: 3.9e-07 Li RI_aug-SZV-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_5_4_4_2_2_2_1_error_3.9e-07 20 1 0 0 1 1 @@ -1156,7 +1156,7 @@ Li RI_aug-SZV-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_5_4_4_2_2_2_1_error_3.9e-07 20 6 6 1 1 0.7349241171 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.1e-02 +# RI basis set for Li (all-electron) relative DI metric: 1.1e-02 Li RI_aug-DZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.1e-02 4 1 0 0 1 1 @@ -1168,7 +1168,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.1e-02 4 1 1 1 1 1.7928072978 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 3.5e-03 +# RI basis set for Li (all-electron) relative DI metric: 3.5e-03 Li RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-03 5 1 0 0 1 1 @@ -1182,7 +1182,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-03 5 1 1 1 1 2.7844011814 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.2e-03 +# RI basis set for Li (all-electron) relative DI metric: 1.2e-03 Li RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.2e-03 6 1 0 0 1 1 @@ -1198,7 +1198,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.2e-03 6 1 1 1 1 2.6158194473 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 2.7e-04 +# RI basis set for Li (all-electron) relative DI metric: 2.7e-04 Li RI_aug-DZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_2.7e-04 7 1 0 0 1 1 @@ -1216,7 +1216,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_2.7e-04 7 2 2 1 1 0.7742805827 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.1e-05 +# RI basis set for Li (all-electron) relative DI metric: 1.1e-05 Li RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.1e-05 8 1 0 0 1 1 @@ -1236,7 +1236,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.1e-05 8 2 2 1 1 0.9071235587 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 4.6e-06 +# RI basis set for Li (all-electron) relative DI metric: 4.6e-06 Li RI_aug-DZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_5_4_1_0_0_0_0_error_4.6e-06 10 1 0 0 1 1 @@ -1260,7 +1260,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_5_4_1_0_0_0_0_error_4.6e-06 10 2 2 1 1 0.9121088287 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for Li (all-electron) relative DI metric: 1.0e-06 Li RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_5_4_3_3_3_0_0_error_1.0e-06 18 1 0 0 1 1 @@ -1300,7 +1300,7 @@ Li RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_5_4_3_3_3_0_0_error_1.0e-06 18 4 4 1 1 0.6179790344 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for Li (all-electron) relative DI metric: 1.5e-02 Li RI_aug-TZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.5e-02 4 1 0 0 1 1 @@ -1312,7 +1312,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.5e-02 4 1 1 1 1 3.9377584450 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 1.8e-03 +# RI basis set for Li (all-electron) relative DI metric: 1.8e-03 Li RI_aug-TZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.8e-03 6 1 0 0 1 1 @@ -1328,7 +1328,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.8e-03 6 1 1 1 1 4.5563339803 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 9.9e-05 +# RI basis set for Li (all-electron) relative DI metric: 9.9e-05 Li RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_9.9e-05 7 1 0 0 1 1 @@ -1346,7 +1346,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_9.9e-05 7 2 2 1 1 0.9143737140 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 2.0e-05 +# RI basis set for Li (all-electron) relative DI metric: 2.0e-05 Li RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.0e-05 8 1 0 0 1 1 @@ -1366,7 +1366,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.0e-05 8 2 2 1 1 0.9125372407 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 9.2e-06 +# RI basis set for Li (all-electron) relative DI metric: 9.2e-06 Li RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_9.2e-06 10 1 0 0 1 1 @@ -1390,7 +1390,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_9.2e-06 10 2 2 1 1 0.9338389900 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 4.5e-06 +# RI basis set for Li (all-electron) relative DI metric: 4.5e-06 Li RI_aug-TZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_7_5_1_0_0_0_0_error_4.5e-06 13 1 0 0 1 1 @@ -1420,7 +1420,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_7_5_1_0_0_0_0_error_4.5e-06 13 2 2 1 1 0.9131331057 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 6.6e-07 +# RI basis set for Li (all-electron) relative DI metric: 6.6e-07 Li RI_aug-TZVP-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_7_5_2_0_0_0_0_error_6.6e-07 14 1 0 0 1 1 @@ -1452,7 +1452,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_7_5_2_0_0_0_0_error_6.6e-07 14 2 2 1 1 1.3997999782 1.0000000000 -# RI basis set for Li (all-electron) relative accuracy of RI-MP2: 3.2e-07 +# RI basis set for Li (all-electron) relative DI metric: 3.2e-07 Li RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_3.2e-07 18 1 0 0 1 1 @@ -1492,7 +1492,7 @@ Li RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_3.2e-07 18 3 3 1 1 1.0835696307 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 1.3e-02 +# RI basis set for Be (all-electron) relative DI metric: 1.3e-02 Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_1.3e-02 5 1 0 0 1 1 @@ -1506,7 +1506,7 @@ Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_1.3e-02 5 1 1 1 1 0.4903269990 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 5.2e-06 +# RI basis set for Be (all-electron) relative DI metric: 5.2e-06 Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_016_s_p_d_f_g_h_i_7_3_0_0_0_0_0_error_5.2e-06 10 1 0 0 1 1 @@ -1530,7 +1530,7 @@ Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_016_s_p_d_f_g_h_i_7_3_0_0_0_0_0_error_5.2e-06 10 1 1 1 1 3.3446943618 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 4.2e-02 +# RI basis set for Be (all-electron) relative DI metric: 4.2e-02 Be RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_4.2e-02 4 1 0 0 1 1 @@ -1542,7 +1542,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_4.2e-02 4 2 2 1 1 0.3346038588 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for Be (all-electron) relative DI metric: 1.2e-02 Be RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_5_1_1_1_0_0_0_error_1.2e-02 8 1 0 0 1 1 @@ -1562,7 +1562,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_5_1_1_1_0_0_0_error_1.2e-02 8 3 3 1 1 0.1442126443 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 5.5e-03 +# RI basis set for Be (all-electron) relative DI metric: 5.5e-03 Be RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_5.5e-03 10 1 0 0 1 1 @@ -1586,7 +1586,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_5.5e-03 10 3 3 1 1 1.3313985884 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 4.1e-06 +# RI basis set for Be (all-electron) relative DI metric: 4.1e-06 Be RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_4.1e-06 11 1 0 0 1 1 @@ -1612,7 +1612,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_4.1e-06 11 3 3 1 1 0.5216014710 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 4.8e-07 +# RI basis set for Be (all-electron) relative DI metric: 4.8e-07 Be RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.8e-07 13 1 0 0 1 1 @@ -1642,7 +1642,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.8e-07 13 3 3 1 1 0.4962152098 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.2e-07 +# RI basis set for Be (all-electron) relative DI metric: 2.2e-07 Be RI_aug-SZV-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_6_5_2_1_0_0_0_error_2.2e-07 14 1 0 0 1 1 @@ -1674,7 +1674,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_6_5_2_1_0_0_0_error_2.2e-07 14 3 3 1 1 0.4980086817 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 6.2e-08 +# RI basis set for Be (all-electron) relative DI metric: 6.2e-08 Be RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_5_4_1_0_0_0_error_6.2e-08 16 1 0 0 1 1 @@ -1710,7 +1710,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_5_4_1_0_0_0_error_6.2e-08 16 3 3 1 1 0.4982903298 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.9e-08 +# RI basis set for Be (all-electron) relative DI metric: 2.9e-08 Be RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_2.9e-08 19 1 0 0 1 1 @@ -1752,7 +1752,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_2.9e-08 19 4 4 1 1 0.5156063055 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 7.3e-09 +# RI basis set for Be (all-electron) relative DI metric: 7.3e-09 Be RI_aug-SZV-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_7.3e-09 27 1 0 0 1 1 @@ -1810,7 +1810,7 @@ Be RI_aug-SZV-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_7.3e-09 27 4 4 1 1 0.7857014957 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.6e-03 +# RI basis set for Be (all-electron) relative DI metric: 2.6e-03 Be RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.6e-03 9 1 0 0 1 1 @@ -1832,7 +1832,7 @@ Be RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.6e-03 9 2 2 1 1 0.3886492407 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 5.7e-04 +# RI basis set for Be (all-electron) relative DI metric: 5.7e-04 Be RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_5.7e-04 12 1 0 0 1 1 @@ -1860,7 +1860,7 @@ Be RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_5.7e-04 12 2 2 1 1 0.7771889181 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 1.3e-04 +# RI basis set for Be (all-electron) relative DI metric: 1.3e-04 Be RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_7_4_2_0_0_0_0_error_1.3e-04 13 1 0 0 1 1 @@ -1890,7 +1890,7 @@ Be RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_7_4_2_0_0_0_0_error_1.3e-04 13 2 2 1 1 0.4744052978 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 5.7e-05 +# RI basis set for Be (all-electron) relative DI metric: 5.7e-05 Be RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_5.7e-05 15 1 0 0 1 1 @@ -1924,7 +1924,7 @@ Be RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_5.7e-05 15 3 3 1 1 0.3562115345 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.1e-05 +# RI basis set for Be (all-electron) relative DI metric: 2.1e-05 Be RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_5_5_4_0_0_0_error_2.1e-05 21 1 0 0 1 1 @@ -1970,7 +1970,7 @@ Be RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_5_5_4_0_0_0_error_2.1e-05 21 3 3 1 1 1.2898409224 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.1e-02 +# RI basis set for Be (all-electron) relative DI metric: 2.1e-02 Be RI_aug-TZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.1e-02 9 1 0 0 1 1 @@ -1992,7 +1992,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.1e-02 9 2 2 1 1 0.3705402825 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 5.7e-03 +# RI basis set for Be (all-electron) relative DI metric: 5.7e-03 Be RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_5.7e-03 11 1 0 0 1 1 @@ -2018,7 +2018,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_5.7e-03 11 3 3 1 1 0.3272528852 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.3e-03 +# RI basis set for Be (all-electron) relative DI metric: 2.3e-03 Be RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.3e-03 12 1 0 0 1 1 @@ -2046,7 +2046,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.3e-03 12 3 3 1 1 0.3471314856 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 9.3e-04 +# RI basis set for Be (all-electron) relative DI metric: 9.3e-04 Be RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_9.3e-04 15 1 0 0 1 1 @@ -2080,7 +2080,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_9.3e-04 15 3 3 1 1 0.3289432139 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 4.3e-04 +# RI basis set for Be (all-electron) relative DI metric: 4.3e-04 Be RI_aug-TZVP-MOLOPT-ae_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_4.3e-04 17 1 0 0 1 1 @@ -2118,7 +2118,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_4.3e-04 17 3 3 1 1 0.3536736931 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 1.5e-04 +# RI basis set for Be (all-electron) relative DI metric: 1.5e-04 Be RI_aug-TZVP-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_1.5e-04 18 1 0 0 1 1 @@ -2158,7 +2158,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_1.5e-04 18 4 4 1 1 0.1369188316 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 6.6e-05 +# RI basis set for Be (all-electron) relative DI metric: 6.6e-05 Be RI_aug-TZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_6.6e-05 19 1 0 0 1 1 @@ -2200,7 +2200,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_6.6e-05 19 4 4 1 1 0.1576113299 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 2.1e-05 +# RI basis set for Be (all-electron) relative DI metric: 2.1e-05 Be RI_aug-TZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_5_5_4_2_0_0_error_2.1e-05 23 1 0 0 1 1 @@ -2250,7 +2250,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_5_5_4_2_0_0_error_2.1e-05 23 4 4 1 1 0.6724171726 1.0000000000 -# RI basis set for Be (all-electron) relative accuracy of RI-MP2: 9.1e-06 +# RI basis set for Be (all-electron) relative DI metric: 9.1e-06 Be RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_9.1e-06 26 1 0 0 1 1 @@ -2308,7 +2308,7 @@ Be RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_9.1e-06 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.0e-02 +# RI basis set for B (all-electron) relative DI metric: 2.0e-02 B RI_aug-SZV-MOLOPT-ae_N_RI_017_s_p_d_f_g_h_i_2_1_1_1_0_0_0_error_2.0e-02 5 1 0 0 1 1 @@ -2322,7 +2322,7 @@ B RI_aug-SZV-MOLOPT-ae_N_RI_017_s_p_d_f_g_h_i_2_1_1_1_0_0_0_error_2.0e-02 5 3 3 1 1 0.2266443541 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 5.8e-07 +# RI basis set for B (all-electron) relative DI metric: 5.8e-07 B RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_5.8e-07 5 1 0 0 1 1 @@ -2336,7 +2336,7 @@ B RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_5.8e-07 5 1 1 1 1 0.8635069462 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 1.2e-07 +# RI basis set for B (all-electron) relative DI metric: 1.2e-07 B RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_5_3_0_0_0_0_0_error_1.2e-07 8 1 0 0 1 1 @@ -2356,7 +2356,7 @@ B RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_5_3_0_0_0_0_0_error_1.2e-07 8 1 1 1 1 3.3360177769 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 1.9e-08 +# RI basis set for B (all-electron) relative DI metric: 1.9e-08 B RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_1.9e-08 13 1 0 0 1 1 @@ -2386,7 +2386,7 @@ B RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_1.9e-08 13 1 1 1 1 3.7282599999 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 7.4e-06 +# RI basis set for B (all-electron) relative DI metric: 7.4e-06 B RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_7.4e-06 9 1 0 0 1 1 @@ -2408,7 +2408,7 @@ B RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_7.4e-06 9 3 3 1 1 0.6759737321 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.2e-06 +# RI basis set for B (all-electron) relative DI metric: 2.2e-06 B RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_2.2e-06 12 1 0 0 1 1 @@ -2436,7 +2436,7 @@ B RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_2.2e-06 12 3 3 1 1 0.5504494161 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 8.4e-07 +# RI basis set for B (all-electron) relative DI metric: 8.4e-07 B RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_8.4e-07 13 1 0 0 1 1 @@ -2466,7 +2466,7 @@ B RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_8.4e-07 13 3 3 1 1 0.5245098254 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.0e-02 +# RI basis set for B (all-electron) relative DI metric: 2.0e-02 B RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.0e-02 9 1 0 0 1 1 @@ -2488,7 +2488,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.0e-02 9 2 2 1 1 0.7924889026 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.3e-03 +# RI basis set for B (all-electron) relative DI metric: 2.3e-03 B RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_5_3_1_1_0_0_0_error_2.3e-03 10 1 0 0 1 1 @@ -2512,7 +2512,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_5_3_1_1_0_0_0_error_2.3e-03 10 3 3 1 1 0.5130681309 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 4.1e-05 +# RI basis set for B (all-electron) relative DI metric: 4.1e-05 B RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.1e-05 13 1 0 0 1 1 @@ -2542,7 +2542,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.1e-05 13 3 3 1 1 0.4017000541 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 1.5e-05 +# RI basis set for B (all-electron) relative DI metric: 1.5e-05 B RI_aug-DZVP-MOLOPT-ae_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_1.5e-05 15 1 0 0 1 1 @@ -2576,7 +2576,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_1.5e-05 15 3 3 1 1 1.5468148392 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 5.2e-06 +# RI basis set for B (all-electron) relative DI metric: 5.2e-06 B RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_6_5_5_2_0_0_0_error_5.2e-06 18 1 0 0 1 1 @@ -2616,7 +2616,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_6_5_5_2_0_0_0_error_5.2e-06 18 3 3 1 1 1.3274783395 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 9.1e-07 +# RI basis set for B (all-electron) relative DI metric: 9.1e-07 B RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_9.1e-07 20 1 0 0 1 1 @@ -2660,7 +2660,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_9.1e-07 20 4 4 1 1 0.6493287535 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 3.5e-07 +# RI basis set for B (all-electron) relative DI metric: 3.5e-07 B RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_5_5_5_1_1_1_error_3.5e-07 25 1 0 0 1 1 @@ -2714,7 +2714,7 @@ B RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_5_5_5_1_1_1_error_3.5e-07 25 6 6 1 1 1.1280327774 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 3.8e-03 +# RI basis set for B (all-electron) relative DI metric: 3.8e-03 B RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_3.8e-03 11 1 0 0 1 1 @@ -2740,7 +2740,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_3.8e-03 11 3 3 1 1 0.8247722601 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 5.1e-04 +# RI basis set for B (all-electron) relative DI metric: 5.1e-04 B RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_5.1e-04 12 1 0 0 1 1 @@ -2768,7 +2768,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_5.1e-04 12 3 3 1 1 0.7666416517 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.6e-04 +# RI basis set for B (all-electron) relative DI metric: 2.6e-04 B RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.6e-04 15 1 0 0 1 1 @@ -2802,7 +2802,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.6e-04 15 3 3 1 1 0.7813893372 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 4.2e-05 +# RI basis set for B (all-electron) relative DI metric: 4.2e-05 B RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_4.2e-05 17 1 0 0 1 1 @@ -2840,7 +2840,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_4.2e-05 17 4 4 1 1 0.5089116277 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for B (all-electron) relative DI metric: 1.2e-05 B RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_6_5_4_2_2_0_0_error_1.2e-05 19 1 0 0 1 1 @@ -2882,7 +2882,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_6_5_4_2_2_0_0_error_1.2e-05 19 4 4 1 1 0.9679395434 1.0000000000 -# RI basis set for B (all-electron) relative accuracy of RI-MP2: 2.1e-06 +# RI basis set for B (all-electron) relative DI metric: 2.1e-06 B RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_6_5_4_3_3_1_0_error_2.1e-06 22 1 0 0 1 1 @@ -2930,7 +2930,7 @@ B RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_6_5_4_3_3_1_0_error_2.1e-06 22 5 5 1 1 1.0470452584 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 4.2e-03 +# RI basis set for C (all-electron) relative DI metric: 4.2e-03 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_4.2e-03 7 1 0 0 1 1 @@ -2948,7 +2948,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_4.2e-03 7 1 1 1 1 1.5558271972 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 7.2e-04 +# RI basis set for C (all-electron) relative DI metric: 7.2e-04 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_017_s_p_d_f_g_h_i_6_2_1_0_0_0_0_error_7.2e-04 9 1 0 0 1 1 @@ -2970,7 +2970,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_017_s_p_d_f_g_h_i_6_2_1_0_0_0_0_error_7.2e-04 9 2 2 1 1 2.8337941285 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.4e-06 +# RI basis set for C (all-electron) relative DI metric: 1.4e-06 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_1.4e-06 10 1 0 0 1 1 @@ -2994,7 +2994,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_1.4e-06 10 2 2 1 1 1.9687565083 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 6.8e-07 +# RI basis set for C (all-electron) relative DI metric: 6.8e-07 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_6.8e-07 11 1 0 0 1 1 @@ -3020,7 +3020,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_6.8e-07 11 2 2 1 1 1.9084499044 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.1e-07 +# RI basis set for C (all-electron) relative DI metric: 2.1e-07 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_040_s_p_d_f_g_h_i_7_6_3_0_0_0_0_error_2.1e-07 16 1 0 0 1 1 @@ -3056,7 +3056,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_040_s_p_d_f_g_h_i_7_6_3_0_0_0_0_error_2.1e-07 16 2 2 1 1 4.6198641560 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.3e-10 +# RI basis set for C (all-electron) relative DI metric: 1.3e-10 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_1.3e-10 18 1 0 0 1 1 @@ -3096,7 +3096,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_1.3e-10 18 2 2 1 1 4.9020816667 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.0e-11 +# RI basis set for C (all-electron) relative DI metric: 2.0e-11 C RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.0e-11 19 1 0 0 1 1 @@ -3138,7 +3138,7 @@ C RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.0e-11 19 2 2 1 1 4.9020816667 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for C (all-electron) relative DI metric: 1.2e-02 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02 4 1 0 0 1 1 @@ -3150,7 +3150,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02 4 2 2 1 1 0.7411049496 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 3.2e-03 +# RI basis set for C (all-electron) relative DI metric: 3.2e-03 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.2e-03 8 1 0 0 1 1 @@ -3170,7 +3170,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.2e-03 8 2 2 1 1 0.5456040832 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.0e-04 +# RI basis set for C (all-electron) relative DI metric: 1.0e-04 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.0e-04 11 1 0 0 1 1 @@ -3196,7 +3196,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.0e-04 11 3 3 1 1 1.0356515402 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 3.3e-05 +# RI basis set for C (all-electron) relative DI metric: 3.3e-05 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_3.3e-05 15 1 0 0 1 1 @@ -3230,7 +3230,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_3.3e-05 15 3 3 1 1 2.5197345063 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 9.8e-06 +# RI basis set for C (all-electron) relative DI metric: 9.8e-06 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_054_s_p_d_f_g_h_i_6_5_2_2_1_0_0_error_9.8e-06 16 1 0 0 1 1 @@ -3266,7 +3266,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_054_s_p_d_f_g_h_i_6_5_2_2_1_0_0_error_9.8e-06 16 4 4 1 1 1.1084873393 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 9.1e-07 +# RI basis set for C (all-electron) relative DI metric: 9.1e-07 C RI_aug-SZV-MOLOPT-ae-SR_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_9.1e-07 19 1 0 0 1 1 @@ -3308,7 +3308,7 @@ C RI_aug-SZV-MOLOPT-ae-SR_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_9.1e-07 19 4 4 1 1 1.5355888317 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.1e-02 +# RI basis set for C (all-electron) relative DI metric: 1.1e-02 C RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.1e-02 4 1 0 0 1 1 @@ -3320,7 +3320,7 @@ C RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.1e-02 4 2 2 1 1 0.6928828507 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 6.7e-04 +# RI basis set for C (all-electron) relative DI metric: 6.7e-04 C RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_6.7e-04 9 1 0 0 1 1 @@ -3342,7 +3342,7 @@ C RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_6.7e-04 9 3 3 1 1 1.1168326622 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.7e-04 +# RI basis set for C (all-electron) relative DI metric: 1.7e-04 C RI_aug-SZV-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_5_3_2_2_1_0_0_error_1.7e-04 13 1 0 0 1 1 @@ -3372,7 +3372,7 @@ C RI_aug-SZV-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_5_3_2_2_1_0_0_error_1.7e-04 13 4 4 1 1 1.0891285069 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 8.4e-05 +# RI basis set for C (all-electron) relative DI metric: 8.4e-05 C RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_8.4e-05 14 1 0 0 1 1 @@ -3404,7 +3404,7 @@ C RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_8.4e-05 14 4 4 1 1 1.2176655648 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 3.9e-02 +# RI basis set for C (all-electron) relative DI metric: 3.9e-02 C RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.9e-02 4 1 0 0 1 1 @@ -3416,7 +3416,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.9e-02 4 2 2 1 1 1.0578164454 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 9.3e-03 +# RI basis set for C (all-electron) relative DI metric: 9.3e-03 C RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.3e-03 8 1 0 0 1 1 @@ -3436,7 +3436,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.3e-03 8 2 2 1 1 1.0207681204 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.6e-03 +# RI basis set for C (all-electron) relative DI metric: 2.6e-03 C RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_2.6e-03 11 1 0 0 1 1 @@ -3462,7 +3462,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_2.6e-03 11 3 3 1 1 1.0420807849 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 4.2e-04 +# RI basis set for C (all-electron) relative DI metric: 4.2e-04 C RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.2e-04 13 1 0 0 1 1 @@ -3492,7 +3492,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.2e-04 13 3 3 1 1 0.9496592034 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.2e-04 +# RI basis set for C (all-electron) relative DI metric: 1.2e-04 C RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_1.2e-04 15 1 0 0 1 1 @@ -3526,7 +3526,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_1.2e-04 15 3 3 1 1 1.3511942136 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 4.4e-05 +# RI basis set for C (all-electron) relative DI metric: 4.4e-05 C RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.4e-05 18 1 0 0 1 1 @@ -3566,7 +3566,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.4e-05 18 4 4 1 1 0.7351949451 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 8.9e-06 +# RI basis set for C (all-electron) relative DI metric: 8.9e-06 C RI_aug-DZVP-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_5_3_3_1_0_0_error_8.9e-06 19 1 0 0 1 1 @@ -3608,7 +3608,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_5_3_3_1_0_0_error_8.9e-06 19 4 4 1 1 0.2503300668 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.4e-06 +# RI basis set for C (all-electron) relative DI metric: 1.4e-06 C RI_aug-DZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_7_5_5_3_1_0_0_error_1.4e-06 21 1 0 0 1 1 @@ -3654,7 +3654,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_7_5_5_3_1_0_0_error_1.4e-06 21 4 4 1 1 0.2837293445 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 6.7e-07 +# RI basis set for C (all-electron) relative DI metric: 6.7e-07 C RI_aug-DZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_5_5_4_3_0_0_error_6.7e-07 24 1 0 0 1 1 @@ -3706,7 +3706,7 @@ C RI_aug-DZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_5_5_4_3_0_0_error_6.7e-07 24 4 4 1 1 1.3562318230 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 3.4e-02 +# RI basis set for C (all-electron) relative DI metric: 3.4e-02 C RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_3.4e-02 6 1 0 0 1 1 @@ -3722,7 +3722,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_3.4e-02 6 3 3 1 1 1.3318123137 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for C (all-electron) relative DI metric: 1.2e-02 C RI_aug-TZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_4_2_1_1_0_0_0_error_1.2e-02 8 1 0 0 1 1 @@ -3742,7 +3742,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_4_2_1_1_0_0_0_error_1.2e-02 8 3 3 1 1 1.1497038199 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 4.6e-03 +# RI basis set for C (all-electron) relative DI metric: 4.6e-03 C RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_4.6e-03 11 1 0 0 1 1 @@ -3768,7 +3768,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_4.6e-03 11 3 3 1 1 1.0957881873 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.3e-03 +# RI basis set for C (all-electron) relative DI metric: 2.3e-03 C RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_6_3_2_1_1_0_0_error_2.3e-03 13 1 0 0 1 1 @@ -3798,7 +3798,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_6_3_2_1_1_0_0_error_2.3e-03 13 4 4 1 1 1.1590919683 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 6.0e-04 +# RI basis set for C (all-electron) relative DI metric: 6.0e-04 C RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_6.0e-04 14 1 0 0 1 1 @@ -3830,7 +3830,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_6.0e-04 14 4 4 1 1 1.0099496878 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.8e-04 +# RI basis set for C (all-electron) relative DI metric: 2.8e-04 C RI_aug-TZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_2.8e-04 15 1 0 0 1 1 @@ -3864,7 +3864,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_2.8e-04 15 4 4 1 1 1.0062094734 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 1.0e-04 +# RI basis set for C (all-electron) relative DI metric: 1.0e-04 C RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_6_4_3_2_2_0_0_error_1.0e-04 17 1 0 0 1 1 @@ -3902,7 +3902,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_6_4_3_2_2_0_0_error_1.0e-04 17 4 4 1 1 1.5043818154 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 4.5e-05 +# RI basis set for C (all-electron) relative DI metric: 4.5e-05 C RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_4.5e-05 19 1 0 0 1 1 @@ -3944,7 +3944,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_4.5e-05 19 4 4 1 1 1.6172510149 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 2.0e-05 +# RI basis set for C (all-electron) relative DI metric: 2.0e-05 C RI_aug-TZVP-MOLOPT-ae_N_RI_076_s_p_d_f_g_h_i_7_5_3_3_2_0_0_error_2.0e-05 20 1 0 0 1 1 @@ -3988,7 +3988,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_076_s_p_d_f_g_h_i_7_5_3_3_2_0_0_error_2.0e-05 20 4 4 1 1 1.5606725484 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 6.6e-06 +# RI basis set for C (all-electron) relative DI metric: 6.6e-06 C RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_6.6e-06 22 1 0 0 1 1 @@ -4036,7 +4036,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_6.6e-06 22 4 4 1 1 1.7384751607 1.0000000000 -# RI basis set for C (all-electron) relative accuracy of RI-MP2: 3.2e-06 +# RI basis set for C (all-electron) relative DI metric: 3.2e-06 C RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_3.2e-06 24 1 0 0 1 1 @@ -4088,7 +4088,7 @@ C RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_3.2e-06 24 4 4 1 1 1.5483278866 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.7e-02 +# RI basis set for N (all-electron) relative DI metric: 2.7e-02 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-02 4 1 0 0 1 1 @@ -4100,7 +4100,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-02 4 1 1 1 1 4.0271620921 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 6.9e-04 +# RI basis set for N (all-electron) relative DI metric: 6.9e-04 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.9e-04 8 1 0 0 1 1 @@ -4120,7 +4120,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.9e-04 8 2 2 1 1 2.9780390367 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for N (all-electron) relative DI metric: 1.0e-06 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.0e-06 9 1 0 0 1 1 @@ -4142,7 +4142,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.0e-06 9 2 2 1 1 2.3684737679 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.8e-07 +# RI basis set for N (all-electron) relative DI metric: 2.8e-07 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_5_4_4_0_0_0_0_error_2.8e-07 13 1 0 0 1 1 @@ -4172,7 +4172,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_5_4_4_0_0_0_0_error_2.8e-07 13 2 2 1 1 6.3007583275 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.3e-07 +# RI basis set for N (all-electron) relative DI metric: 1.3e-07 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_1.3e-07 14 1 0 0 1 1 @@ -4204,7 +4204,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_1.3e-07 14 2 2 1 1 6.3007583311 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.0e-08 +# RI basis set for N (all-electron) relative DI metric: 3.0e-08 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_041_s_p_d_f_g_h_i_6_5_4_0_0_0_0_error_3.0e-08 15 1 0 0 1 1 @@ -4238,7 +4238,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_041_s_p_d_f_g_h_i_6_5_4_0_0_0_0_error_3.0e-08 15 2 2 1 1 6.3007583311 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 6.8e-09 +# RI basis set for N (all-electron) relative DI metric: 6.8e-09 N RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_6.8e-09 17 1 0 0 1 1 @@ -4276,7 +4276,7 @@ N RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_6.8e-09 17 2 2 1 1 6.3007583332 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 4.8e-02 +# RI basis set for N (all-electron) relative DI metric: 4.8e-02 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.8e-02 5 1 0 0 1 1 @@ -4290,7 +4290,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.8e-02 5 1 1 1 1 1.0160173719 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 6.3e-03 +# RI basis set for N (all-electron) relative DI metric: 6.3e-03 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_6.3e-03 6 1 0 0 1 1 @@ -4306,7 +4306,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_6.3e-03 6 2 2 1 1 0.7486022890 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.0e-04 +# RI basis set for N (all-electron) relative DI metric: 2.0e-04 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_2.0e-04 9 1 0 0 1 1 @@ -4328,7 +4328,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_2.0e-04 9 3 3 1 1 0.6870253810 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 7.1e-05 +# RI basis set for N (all-electron) relative DI metric: 7.1e-05 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_036_s_p_d_f_g_h_i_5_3_3_1_0_0_0_error_7.1e-05 12 1 0 0 1 1 @@ -4356,7 +4356,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_036_s_p_d_f_g_h_i_5_3_3_1_0_0_0_error_7.1e-05 12 3 3 1 1 0.7366054611 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.9e-05 +# RI basis set for N (all-electron) relative DI metric: 1.9e-05 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_1.9e-05 14 1 0 0 1 1 @@ -4388,7 +4388,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_1.9e-05 14 3 3 1 1 3.9566890997 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.1e-06 +# RI basis set for N (all-electron) relative DI metric: 2.1e-06 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_2.1e-06 16 1 0 0 1 1 @@ -4424,7 +4424,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_2.1e-06 16 3 3 1 1 3.0267596576 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 7.2e-07 +# RI basis set for N (all-electron) relative DI metric: 7.2e-07 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_7.2e-07 17 1 0 0 1 1 @@ -4462,7 +4462,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_7.2e-07 17 3 3 1 1 3.4529556155 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.5e-07 +# RI basis set for N (all-electron) relative DI metric: 1.5e-07 N RI_aug-SZV-MOLOPT-ae-SR_N_RI_089_s_p_d_f_g_h_i_6_5_4_3_3_0_0_error_1.5e-07 21 1 0 0 1 1 @@ -4508,7 +4508,7 @@ N RI_aug-SZV-MOLOPT-ae-SR_N_RI_089_s_p_d_f_g_h_i_6_5_4_3_3_0_0_error_1.5e-07 21 4 4 1 1 1.8203166985 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.1e-02 +# RI basis set for N (all-electron) relative DI metric: 3.1e-02 N RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.1e-02 4 1 0 0 1 1 @@ -4520,7 +4520,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.1e-02 4 2 2 1 1 1.1902917242 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 8.1e-03 +# RI basis set for N (all-electron) relative DI metric: 8.1e-03 N RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_8.1e-03 7 1 0 0 1 1 @@ -4538,7 +4538,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_8.1e-03 7 3 3 1 1 0.3604259987 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.3e-03 +# RI basis set for N (all-electron) relative DI metric: 2.3e-03 N RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_5_1_1_0_0_0_error_2.3e-03 13 1 0 0 1 1 @@ -4568,7 +4568,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_5_1_1_0_0_0_error_2.3e-03 13 3 3 1 1 1.3064331409 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.2e-05 +# RI basis set for N (all-electron) relative DI metric: 2.2e-05 N RI_aug-SZV-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.2e-05 15 1 0 0 1 1 @@ -4602,7 +4602,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.2e-05 15 3 3 1 1 1.1978072490 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for N (all-electron) relative DI metric: 1.0e-06 N RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.0e-06 17 1 0 0 1 1 @@ -4640,7 +4640,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.0e-06 17 3 3 1 1 2.0818956914 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 4.2e-07 +# RI basis set for N (all-electron) relative DI metric: 4.2e-07 N RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_4.2e-07 18 1 0 0 1 1 @@ -4680,7 +4680,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_4.2e-07 18 3 3 1 1 2.3342893057 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.8e-07 +# RI basis set for N (all-electron) relative DI metric: 1.8e-07 N RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.8e-07 19 1 0 0 1 1 @@ -4722,7 +4722,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.8e-07 19 3 3 1 1 2.1764165813 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 8.3e-08 +# RI basis set for N (all-electron) relative DI metric: 8.3e-08 N RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_8.3e-08 22 1 0 0 1 1 @@ -4770,7 +4770,7 @@ N RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_8.3e-08 22 3 3 1 1 3.3878483320 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.2e-02 +# RI basis set for N (all-electron) relative DI metric: 3.2e-02 N RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.2e-02 7 1 0 0 1 1 @@ -4788,7 +4788,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.2e-02 7 3 3 1 1 0.7435641067 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.5e-03 +# RI basis set for N (all-electron) relative DI metric: 3.5e-03 N RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_4_2_1_1_1_0_0_error_3.5e-03 9 1 0 0 1 1 @@ -4810,7 +4810,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_4_2_1_1_1_0_0_error_3.5e-03 9 4 4 1 1 0.5883866521 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 9.2e-04 +# RI basis set for N (all-electron) relative DI metric: 9.2e-04 N RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_9.2e-04 11 1 0 0 1 1 @@ -4836,7 +4836,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_9.2e-04 11 4 4 1 1 1.2910568292 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.5e-04 +# RI basis set for N (all-electron) relative DI metric: 3.5e-04 N RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_4_2_1_1_0_0_error_3.5e-04 13 1 0 0 1 1 @@ -4866,7 +4866,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_4_2_1_1_0_0_error_3.5e-04 13 4 4 1 1 1.0016913950 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.6e-04 +# RI basis set for N (all-electron) relative DI metric: 1.6e-04 N RI_aug-DZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_1.6e-04 15 1 0 0 1 1 @@ -4900,7 +4900,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_1.6e-04 15 4 4 1 1 1.0178044814 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 6.6e-05 +# RI basis set for N (all-electron) relative DI metric: 6.6e-05 N RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_6.6e-05 16 1 0 0 1 1 @@ -4936,7 +4936,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_6.6e-05 16 4 4 1 1 1.3371746309 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.1e-05 +# RI basis set for N (all-electron) relative DI metric: 3.1e-05 N RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_3.1e-05 17 1 0 0 1 1 @@ -4974,7 +4974,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_3.1e-05 17 4 4 1 1 1.3020622384 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 9.7e-06 +# RI basis set for N (all-electron) relative DI metric: 9.7e-06 N RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_5_3_2_2_0_0_error_9.7e-06 18 1 0 0 1 1 @@ -5014,7 +5014,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_5_3_2_2_0_0_error_9.7e-06 18 4 4 1 1 2.0011179420 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.7e-06 +# RI basis set for N (all-electron) relative DI metric: 2.7e-06 N RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_2.7e-06 19 1 0 0 1 1 @@ -5056,7 +5056,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_2.7e-06 19 4 4 1 1 2.1367859617 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for N (all-electron) relative DI metric: 1.0e-06 N RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.0e-06 22 1 0 0 1 1 @@ -5104,7 +5104,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.0e-06 22 4 4 1 1 1.9847660952 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 4.5e-07 +# RI basis set for N (all-electron) relative DI metric: 4.5e-07 N RI_aug-DZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_6_5_3_2_0_0_error_4.5e-07 23 1 0 0 1 1 @@ -5154,7 +5154,7 @@ N RI_aug-DZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_6_5_3_2_0_0_error_4.5e-07 23 4 4 1 1 2.1268127230 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.7e-02 +# RI basis set for N (all-electron) relative DI metric: 2.7e-02 N RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_2.7e-02 9 1 0 0 1 1 @@ -5176,7 +5176,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_2.7e-02 9 3 3 1 1 1.5383058496 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 8.5e-03 +# RI basis set for N (all-electron) relative DI metric: 8.5e-03 N RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_8.5e-03 11 1 0 0 1 1 @@ -5202,7 +5202,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_8.5e-03 11 3 3 1 1 1.4085901621 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 3.7e-03 +# RI basis set for N (all-electron) relative DI metric: 3.7e-03 N RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_3.7e-03 14 1 0 0 1 1 @@ -5234,7 +5234,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_3.7e-03 14 4 4 1 1 1.2961955778 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 9.9e-04 +# RI basis set for N (all-electron) relative DI metric: 9.9e-04 N RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_5_2_2_1_0_0_error_9.9e-04 17 1 0 0 1 1 @@ -5272,7 +5272,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_5_2_2_1_0_0_error_9.9e-04 17 4 4 1 1 1.2498956211 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 4.1e-04 +# RI basis set for N (all-electron) relative DI metric: 4.1e-04 N RI_aug-TZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.1e-04 18 1 0 0 1 1 @@ -5312,7 +5312,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.1e-04 18 4 4 1 1 1.3981231793 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 1.7e-04 +# RI basis set for N (all-electron) relative DI metric: 1.7e-04 N RI_aug-TZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_3_2_2_0_0_error_1.7e-04 19 1 0 0 1 1 @@ -5354,7 +5354,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_3_2_2_0_0_error_1.7e-04 19 4 4 1 1 2.1464845239 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 5.6e-05 +# RI basis set for N (all-electron) relative DI metric: 5.6e-05 N RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_5_4_3_2_0_0_error_5.6e-05 21 1 0 0 1 1 @@ -5400,7 +5400,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_5_4_3_2_0_0_error_5.6e-05 21 4 4 1 1 1.7472098325 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 2.2e-05 +# RI basis set for N (all-electron) relative DI metric: 2.2e-05 N RI_aug-TZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_4_4_2_0_0_error_2.2e-05 23 1 0 0 1 1 @@ -5450,7 +5450,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_4_4_2_0_0_error_2.2e-05 23 4 4 1 1 1.7777103546 1.0000000000 -# RI basis set for N (all-electron) relative accuracy of RI-MP2: 8.5e-06 +# RI basis set for N (all-electron) relative DI metric: 8.5e-06 N RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_6_4_2_1_0_error_8.5e-06 26 1 0 0 1 1 @@ -5506,7 +5506,7 @@ N RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_6_4_2_1_0_error_8.5e-06 26 5 5 1 1 0.7186725960 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.8e-02 +# RI basis set for O (all-electron) relative DI metric: 4.8e-02 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.8e-02 4 1 0 0 1 1 @@ -5518,7 +5518,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.8e-02 4 1 1 1 1 4.1669751099 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 2.1e-02 +# RI basis set for O (all-electron) relative DI metric: 2.1e-02 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.1e-02 5 1 0 0 1 1 @@ -5532,7 +5532,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.1e-02 5 2 2 1 1 4.3887768259 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 2.9e-03 +# RI basis set for O (all-electron) relative DI metric: 2.9e-03 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.9e-03 8 1 0 0 1 1 @@ -5552,7 +5552,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.9e-03 8 2 2 1 1 4.2358612041 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for O (all-electron) relative DI metric: 1.0e-06 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_1.0e-06 10 1 0 0 1 1 @@ -5576,7 +5576,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_1.0e-06 10 2 2 1 1 8.0124493305 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.0e-07 +# RI basis set for O (all-electron) relative DI metric: 4.0e-07 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_032_s_p_d_f_g_h_i_5_4_3_0_0_0_0_error_4.0e-07 12 1 0 0 1 1 @@ -5604,7 +5604,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_032_s_p_d_f_g_h_i_5_4_3_0_0_0_0_error_4.0e-07 12 2 2 1 1 8.1013192044 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.6e-07 +# RI basis set for O (all-electron) relative DI metric: 1.6e-07 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.6e-07 16 1 0 0 1 1 @@ -5640,7 +5640,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.6e-07 16 2 2 1 1 8.3885850057 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 2.2e-08 +# RI basis set for O (all-electron) relative DI metric: 2.2e-08 O RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_2.2e-08 17 1 0 0 1 1 @@ -5678,7 +5678,7 @@ O RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_2.2e-08 17 2 2 1 1 8.3885850000 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.6e-02 +# RI basis set for O (all-electron) relative DI metric: 1.6e-02 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_1.6e-02 11 1 0 0 1 1 @@ -5704,7 +5704,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_1.6e-02 11 2 2 1 1 3.2736961110 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.1e-05 +# RI basis set for O (all-electron) relative DI metric: 1.1e-05 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_1.1e-05 12 1 0 0 1 1 @@ -5732,7 +5732,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_1.1e-05 12 3 3 1 1 1.2293462032 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 5.0e-06 +# RI basis set for O (all-electron) relative DI metric: 5.0e-06 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_041_s_p_d_f_g_h_i_5_4_2_2_0_0_0_error_5.0e-06 13 1 0 0 1 1 @@ -5762,7 +5762,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_041_s_p_d_f_g_h_i_5_4_2_2_0_0_0_error_5.0e-06 13 3 3 1 1 4.5931523228 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 7.1e-07 +# RI basis set for O (all-electron) relative DI metric: 7.1e-07 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_7.1e-07 14 1 0 0 1 1 @@ -5794,7 +5794,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_7.1e-07 14 3 3 1 1 4.4458153677 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 2.9e-07 +# RI basis set for O (all-electron) relative DI metric: 2.9e-07 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_051_s_p_d_f_g_h_i_5_4_4_2_0_0_0_error_2.9e-07 15 1 0 0 1 1 @@ -5828,7 +5828,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_051_s_p_d_f_g_h_i_5_4_4_2_0_0_0_error_2.9e-07 15 3 3 1 1 2.9203372730 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.4e-07 +# RI basis set for O (all-electron) relative DI metric: 1.4e-07 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_063_s_p_d_f_g_h_i_7_5_4_3_0_0_0_error_1.4e-07 19 1 0 0 1 1 @@ -5870,7 +5870,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_063_s_p_d_f_g_h_i_7_5_4_3_0_0_0_error_1.4e-07 19 3 3 1 1 4.6605621473 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 5.0e-08 +# RI basis set for O (all-electron) relative DI metric: 5.0e-08 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_5.0e-08 22 1 0 0 1 1 @@ -5918,7 +5918,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_5.0e-08 22 4 4 1 1 2.2587729939 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.9e-08 +# RI basis set for O (all-electron) relative DI metric: 1.9e-08 O RI_aug-SZV-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_1.9e-08 24 1 0 0 1 1 @@ -5970,7 +5970,7 @@ O RI_aug-SZV-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_1.9e-08 24 4 4 1 1 2.2699013156 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.2e-02 +# RI basis set for O (all-electron) relative DI metric: 4.2e-02 O RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_5_1_1_0_0_0_0_error_4.2e-02 7 1 0 0 1 1 @@ -5988,7 +5988,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_5_1_1_0_0_0_0_error_4.2e-02 7 2 2 1 1 1.7411130613 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.6e-02 +# RI basis set for O (all-electron) relative DI metric: 1.6e-02 O RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_1.6e-02 10 1 0 0 1 1 @@ -6012,7 +6012,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_1.6e-02 10 3 3 1 1 0.4642475464 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.8e-04 +# RI basis set for O (all-electron) relative DI metric: 1.8e-04 O RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_1.8e-04 15 1 0 0 1 1 @@ -6046,7 +6046,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_1.8e-04 15 3 3 1 1 1.1372702684 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 5.3e-05 +# RI basis set for O (all-electron) relative DI metric: 5.3e-05 O RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_5.3e-05 18 1 0 0 1 1 @@ -6086,7 +6086,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_5.3e-05 18 3 3 1 1 6.0008377772 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 7.1e-06 +# RI basis set for O (all-electron) relative DI metric: 7.1e-06 O RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_7.1e-06 19 1 0 0 1 1 @@ -6128,7 +6128,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_7.1e-06 19 3 3 1 1 2.9755479849 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.1e-07 +# RI basis set for O (all-electron) relative DI metric: 4.1e-07 O RI_aug-SZV-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.1e-07 20 1 0 0 1 1 @@ -6172,7 +6172,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.1e-07 20 3 3 1 1 13.9368062469 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.8e-07 +# RI basis set for O (all-electron) relative DI metric: 1.8e-07 O RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_7_6_6_5_2_0_0_error_1.8e-07 26 1 0 0 1 1 @@ -6228,7 +6228,7 @@ O RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_7_6_6_5_2_0_0_error_1.8e-07 26 4 4 1 1 7.0126131855 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 3.1e-02 +# RI basis set for O (all-electron) relative DI metric: 3.1e-02 O RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.1e-02 8 1 0 0 1 1 @@ -6248,7 +6248,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.1e-02 8 2 2 1 1 1.6346574773 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for O (all-electron) relative DI metric: 1.2e-02 O RI_aug-DZVP-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_7_3_1_1_0_0_0_error_1.2e-02 12 1 0 0 1 1 @@ -6276,7 +6276,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_7_3_1_1_0_0_0_error_1.2e-02 12 3 3 1 1 1.6812064943 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.5e-03 +# RI basis set for O (all-electron) relative DI metric: 1.5e-03 O RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_7_3_2_1_0_0_0_error_1.5e-03 13 1 0 0 1 1 @@ -6306,7 +6306,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_7_3_2_1_0_0_0_error_1.5e-03 13 3 3 1 1 1.2487837087 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 7.2e-04 +# RI basis set for O (all-electron) relative DI metric: 7.2e-04 O RI_aug-DZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_7.2e-04 15 1 0 0 1 1 @@ -6340,7 +6340,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_7.2e-04 15 3 3 1 1 1.4856489001 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 3.4e-04 +# RI basis set for O (all-electron) relative DI metric: 3.4e-04 O RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_3.4e-04 17 1 0 0 1 1 @@ -6378,7 +6378,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_3.4e-04 17 4 4 1 1 0.6192247138 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.2e-04 +# RI basis set for O (all-electron) relative DI metric: 1.2e-04 O RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_1.2e-04 18 1 0 0 1 1 @@ -6418,7 +6418,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_1.2e-04 18 4 4 1 1 0.6879130615 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.9e-06 +# RI basis set for O (all-electron) relative DI metric: 4.9e-06 O RI_aug-DZVP-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_5_4_3_1_0_0_error_4.9e-06 20 1 0 0 1 1 @@ -6462,7 +6462,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_5_4_3_1_0_0_error_4.9e-06 20 4 4 1 1 0.7109823428 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.8e-06 +# RI basis set for O (all-electron) relative DI metric: 1.8e-06 O RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_3_3_0_0_error_1.8e-06 23 1 0 0 1 1 @@ -6512,7 +6512,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_3_3_0_0_error_1.8e-06 23 4 4 1 1 2.5977990388 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 4.7e-07 +# RI basis set for O (all-electron) relative DI metric: 4.7e-07 O RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_4.7e-07 25 1 0 0 1 1 @@ -6566,7 +6566,7 @@ O RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_4.7e-07 25 4 4 1 1 3.1881423137 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 3.7e-02 +# RI basis set for O (all-electron) relative DI metric: 3.7e-02 O RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.7e-02 9 1 0 0 1 1 @@ -6588,7 +6588,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.7e-02 9 3 3 1 1 1.9137454195 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for O (all-electron) relative DI metric: 1.5e-02 O RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_1.5e-02 10 1 0 0 1 1 @@ -6612,7 +6612,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_1.5e-02 10 3 3 1 1 1.6294342555 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 7.2e-03 +# RI basis set for O (all-electron) relative DI metric: 7.2e-03 O RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_3_3_2_0_0_0_error_7.2e-03 13 1 0 0 1 1 @@ -6642,7 +6642,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_3_3_2_0_0_0_error_7.2e-03 13 3 3 1 1 2.3332781584 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.9e-03 +# RI basis set for O (all-electron) relative DI metric: 1.9e-03 O RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_5_3_3_2_1_0_0_error_1.9e-03 14 1 0 0 1 1 @@ -6674,7 +6674,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_5_3_3_2_1_0_0_error_1.9e-03 14 4 4 1 1 1.5453806960 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 9.4e-04 +# RI basis set for O (all-electron) relative DI metric: 9.4e-04 O RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_4_3_2_2_0_0_error_9.4e-04 18 1 0 0 1 1 @@ -6714,7 +6714,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_4_3_2_2_0_0_error_9.4e-04 18 4 4 1 1 2.5102684412 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 3.1e-04 +# RI basis set for O (all-electron) relative DI metric: 3.1e-04 O RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_3.1e-04 19 1 0 0 1 1 @@ -6756,7 +6756,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_3.1e-04 19 4 4 1 1 2.2698060698 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 6.7e-05 +# RI basis set for O (all-electron) relative DI metric: 6.7e-05 O RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_4_3_3_2_1_0_error_6.7e-05 20 1 0 0 1 1 @@ -6800,7 +6800,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_4_3_3_2_1_0_error_6.7e-05 20 5 5 1 1 0.7626379089 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 2.7e-05 +# RI basis set for O (all-electron) relative DI metric: 2.7e-05 O RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05 21 1 0 0 1 1 @@ -6846,7 +6846,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05 21 5 5 1 1 0.8731087504 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for O (all-electron) relative DI metric: 1.2e-05 O RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_1.2e-05 24 1 0 0 1 1 @@ -6898,7 +6898,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_1.2e-05 24 5 5 1 1 0.7711588260 1.0000000000 -# RI basis set for O (all-electron) relative accuracy of RI-MP2: 5.1e-06 +# RI basis set for O (all-electron) relative DI metric: 5.1e-06 O RI_aug-TZVP-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_6_5_2_1_0_error_5.1e-06 27 1 0 0 1 1 @@ -6956,7 +6956,7 @@ O RI_aug-TZVP-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_6_5_2_1_0_error_5.1e-06 27 5 5 1 1 0.9226622435 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 4.4e-02 +# RI basis set for F (all-electron) relative DI metric: 4.4e-02 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.4e-02 4 1 0 0 1 1 @@ -6968,7 +6968,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.4e-02 4 1 1 1 1 4.3689624046 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 4.7e-03 +# RI basis set for F (all-electron) relative DI metric: 4.7e-03 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_4.7e-03 5 1 0 0 1 1 @@ -6982,7 +6982,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_4.7e-03 5 2 2 1 1 4.9651244178 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.1e-03 +# RI basis set for F (all-electron) relative DI metric: 2.1e-03 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.1e-03 8 1 0 0 1 1 @@ -7002,7 +7002,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.1e-03 8 2 2 1 1 5.0043452160 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 4.7e-06 +# RI basis set for F (all-electron) relative DI metric: 4.7e-06 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.7e-06 9 1 0 0 1 1 @@ -7024,7 +7024,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.7e-06 9 2 2 1 1 3.6943557033 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.2e-06 +# RI basis set for F (all-electron) relative DI metric: 2.2e-06 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_2.2e-06 10 1 0 0 1 1 @@ -7048,7 +7048,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_2.2e-06 10 2 2 1 1 3.6395284305 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.0e-06 +# RI basis set for F (all-electron) relative DI metric: 1.0e-06 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_1.0e-06 11 1 0 0 1 1 @@ -7074,7 +7074,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_1.0e-06 11 2 2 1 1 6.4569329891 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.5e-07 +# RI basis set for F (all-electron) relative DI metric: 2.5e-07 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07 13 1 0 0 1 1 @@ -7104,7 +7104,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07 13 2 2 1 1 6.3411194253 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 5.6e-08 +# RI basis set for F (all-electron) relative DI metric: 5.6e-08 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_5.6e-08 14 1 0 0 1 1 @@ -7136,7 +7136,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_5.6e-08 14 2 2 1 1 6.1676280497 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.7e-08 +# RI basis set for F (all-electron) relative DI metric: 2.7e-08 F RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.7e-08 19 1 0 0 1 1 @@ -7178,7 +7178,7 @@ F RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.7e-08 19 2 2 1 1 10.7840477353 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 3.9e-02 +# RI basis set for F (all-electron) relative DI metric: 3.9e-02 F RI_aug-SZV-MOLOPT-ae_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_3.9e-02 6 1 0 0 1 1 @@ -7194,7 +7194,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_3.9e-02 6 2 2 1 1 2.1527687985 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 5.2e-03 +# RI basis set for F (all-electron) relative DI metric: 5.2e-03 F RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_5.2e-03 7 1 0 0 1 1 @@ -7212,7 +7212,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_5.2e-03 7 3 3 1 1 3.0370656606 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.0e-03 +# RI basis set for F (all-electron) relative DI metric: 1.0e-03 F RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.0e-03 10 1 0 0 1 1 @@ -7236,7 +7236,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.0e-03 10 3 3 1 1 3.2504863578 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.4e-04 +# RI basis set for F (all-electron) relative DI metric: 2.4e-04 F RI_aug-SZV-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_2.4e-04 14 1 0 0 1 1 @@ -7268,7 +7268,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_2.4e-04 14 3 3 1 1 3.0726651097 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 6.9e-05 +# RI basis set for F (all-electron) relative DI metric: 6.9e-05 F RI_aug-SZV-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_6_1_1_1_0_0_error_6.9e-05 16 1 0 0 1 1 @@ -7304,7 +7304,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_6_1_1_1_0_0_error_6.9e-05 16 4 4 1 1 0.3922152109 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.4e-05 +# RI basis set for F (all-electron) relative DI metric: 1.4e-05 F RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.4e-05 19 1 0 0 1 1 @@ -7346,7 +7346,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.4e-05 19 4 4 1 1 2.6607386482 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 5.8e-06 +# RI basis set for F (all-electron) relative DI metric: 5.8e-06 F RI_aug-SZV-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.8e-06 20 1 0 0 1 1 @@ -7390,7 +7390,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.8e-06 20 4 4 1 1 2.7452017599 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.3e-06 +# RI basis set for F (all-electron) relative DI metric: 1.3e-06 F RI_aug-SZV-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.3e-06 21 1 0 0 1 1 @@ -7436,7 +7436,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.3e-06 21 4 4 1 1 2.8362867058 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 4.0e-07 +# RI basis set for F (all-electron) relative DI metric: 4.0e-07 F RI_aug-SZV-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_4_3_2_2_1_error_4.0e-07 25 1 0 0 1 1 @@ -7490,7 +7490,7 @@ F RI_aug-SZV-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_4_3_2_2_1_error_4.0e-07 25 6 6 1 1 3.2327123206 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.9e-02 +# RI basis set for F (all-electron) relative DI metric: 1.9e-02 F RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_1.9e-02 9 1 0 0 1 1 @@ -7512,7 +7512,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_1.9e-02 9 3 3 1 1 3.7676917266 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 5.6e-03 +# RI basis set for F (all-electron) relative DI metric: 5.6e-03 F RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_2_1_1_1_0_0_error_5.6e-03 11 1 0 0 1 1 @@ -7538,7 +7538,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_2_1_1_1_0_0_error_5.6e-03 11 4 4 1 1 0.7757779476 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.2e-04 +# RI basis set for F (all-electron) relative DI metric: 2.2e-04 F RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_3_3_1_1_0_0_error_2.2e-04 15 1 0 0 1 1 @@ -7572,7 +7572,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_3_3_1_1_0_0_error_2.2e-04 15 4 4 1 1 1.1943211072 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 8.1e-05 +# RI basis set for F (all-electron) relative DI metric: 8.1e-05 F RI_aug-DZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_3_3_3_1_0_0_error_8.1e-05 17 1 0 0 1 1 @@ -7610,7 +7610,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_3_3_3_1_0_0_error_8.1e-05 17 4 4 1 1 1.2312585162 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 3.8e-05 +# RI basis set for F (all-electron) relative DI metric: 3.8e-05 F RI_aug-DZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_3_3_3_0_0_error_3.8e-05 21 1 0 0 1 1 @@ -7656,7 +7656,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_3_3_3_0_0_error_3.8e-05 21 4 4 1 1 8.8641110940 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 8.6e-06 +# RI basis set for F (all-electron) relative DI metric: 8.6e-06 F RI_aug-DZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_6_4_3_3_0_0_error_8.6e-06 23 1 0 0 1 1 @@ -7706,7 +7706,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_6_4_3_3_0_0_error_8.6e-06 23 4 4 1 1 8.7621378759 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.8e-06 +# RI basis set for F (all-electron) relative DI metric: 2.8e-06 F RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_2.8e-06 25 1 0 0 1 1 @@ -7762,7 +7762,7 @@ F RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_2.8e-06 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 4.5e-02 +# RI basis set for F (all-electron) relative DI metric: 4.5e-02 F RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_4.5e-02 9 1 0 0 1 1 @@ -7784,7 +7784,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_4.5e-02 9 3 3 1 1 2.9286689087 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.0e-02 +# RI basis set for F (all-electron) relative DI metric: 2.0e-02 F RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_2.0e-02 10 1 0 0 1 1 @@ -7808,7 +7808,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_2.0e-02 10 3 3 1 1 2.6218953220 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 7.7e-03 +# RI basis set for F (all-electron) relative DI metric: 7.7e-03 F RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_7.7e-03 11 1 0 0 1 1 @@ -7834,7 +7834,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_7.7e-03 11 4 4 1 1 2.1941646423 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 3.7e-03 +# RI basis set for F (all-electron) relative DI metric: 3.7e-03 F RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.7e-03 14 1 0 0 1 1 @@ -7866,7 +7866,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.7e-03 14 4 4 1 1 1.9577130841 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.5e-03 +# RI basis set for F (all-electron) relative DI metric: 1.5e-03 F RI_aug-TZVP-MOLOPT-ae_N_RI_062_s_p_d_f_g_h_i_6_4_2_2_1_1_0_error_1.5e-03 16 1 0 0 1 1 @@ -7902,7 +7902,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_062_s_p_d_f_g_h_i_6_4_2_2_1_1_0_error_1.5e-03 16 5 5 1 1 2.3914561801 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 3.1e-04 +# RI basis set for F (all-electron) relative DI metric: 3.1e-04 F RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_6_5_3_2_1_1_0_error_3.1e-04 18 1 0 0 1 1 @@ -7942,7 +7942,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_6_5_3_2_1_1_0_error_3.1e-04 18 5 5 1 1 2.2858043998 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.4e-04 +# RI basis set for F (all-electron) relative DI metric: 1.4e-04 F RI_aug-TZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_4_2_2_1_0_error_1.4e-04 21 1 0 0 1 1 @@ -7988,7 +7988,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_4_2_2_1_0_error_1.4e-04 21 5 5 1 1 2.2769874868 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 2.5e-05 +# RI basis set for F (all-electron) relative DI metric: 2.5e-05 F RI_aug-TZVP-MOLOPT-ae_N_RI_092_s_p_d_f_g_h_i_7_5_4_3_2_1_0_error_2.5e-05 22 1 0 0 1 1 @@ -8036,7 +8036,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_092_s_p_d_f_g_h_i_7_5_4_3_2_1_0_error_2.5e-05 22 5 5 1 1 2.5990780387 1.0000000000 -# RI basis set for F (all-electron) relative accuracy of RI-MP2: 1.0e-05 +# RI basis set for F (all-electron) relative DI metric: 1.0e-05 F RI_aug-TZVP-MOLOPT-ae_N_RI_109_s_p_d_f_g_h_i_7_6_5_3_3_1_0_error_1.0e-05 25 1 0 0 1 1 @@ -8090,7 +8090,7 @@ F RI_aug-TZVP-MOLOPT-ae_N_RI_109_s_p_d_f_g_h_i_7_6_5_3_3_1_0_error_1.0e-05 25 5 5 1 1 2.6911348806 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 4.6e-02 +# RI basis set for Ne (all-electron) relative DI metric: 4.6e-02 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.6e-02 3 1 0 0 1 1 @@ -8100,7 +8100,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.6e-02 3 1 1 1 1 7.7663691038 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for Ne (all-electron) relative DI metric: 1.2e-02 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02 4 1 0 0 1 1 @@ -8112,7 +8112,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02 4 2 2 1 1 10.6951494256 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 5.5e-03 +# RI basis set for Ne (all-electron) relative DI metric: 5.5e-03 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_5.5e-03 6 1 0 0 1 1 @@ -8128,7 +8128,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_5.5e-03 6 2 2 1 1 10.6900477387 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.9e-04 +# RI basis set for Ne (all-electron) relative DI metric: 2.9e-04 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_2.9e-04 7 1 0 0 1 1 @@ -8146,7 +8146,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_2.9e-04 7 2 2 1 1 6.4182032895 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 8.5e-05 +# RI basis set for Ne (all-electron) relative DI metric: 8.5e-05 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_8.5e-05 10 1 0 0 1 1 @@ -8170,7 +8170,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_8.5e-05 10 2 2 1 1 6.9552605104 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 5.6e-06 +# RI basis set for Ne (all-electron) relative DI metric: 5.6e-06 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_5.6e-06 11 1 0 0 1 1 @@ -8196,7 +8196,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_5.6e-06 11 2 2 1 1 6.9716018890 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.3e-06 +# RI basis set for Ne (all-electron) relative DI metric: 1.3e-06 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_1.3e-06 12 1 0 0 1 1 @@ -8224,7 +8224,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_1.3e-06 12 2 2 1 1 8.4938858380 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 6.5e-07 +# RI basis set for Ne (all-electron) relative DI metric: 6.5e-07 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_6.5e-07 15 1 0 0 1 1 @@ -8258,7 +8258,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_6.5e-07 15 2 2 1 1 8.1910779146 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.4e-08 +# RI basis set for Ne (all-electron) relative DI metric: 1.4e-08 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08 16 1 0 0 1 1 @@ -8294,7 +8294,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08 16 2 2 1 1 13.7438583291 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.7e-09 +# RI basis set for Ne (all-electron) relative DI metric: 1.7e-09 Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_1.7e-09 17 1 0 0 1 1 @@ -8332,7 +8332,7 @@ Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_1.7e-09 17 2 2 1 1 13.7438583291 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 4.6e-02 +# RI basis set for Ne (all-electron) relative DI metric: 4.6e-02 Ne RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_4.6e-02 7 1 0 0 1 1 @@ -8350,7 +8350,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_4.6e-02 7 1 1 1 1 4.7178484985 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 5.4e-03 +# RI basis set for Ne (all-electron) relative DI metric: 5.4e-03 Ne RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_5.4e-03 9 1 0 0 1 1 @@ -8372,7 +8372,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_5.4e-03 9 2 2 1 1 7.9367141797 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 4.7e-04 +# RI basis set for Ne (all-electron) relative DI metric: 4.7e-04 Ne RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_4.7e-04 12 1 0 0 1 1 @@ -8400,7 +8400,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_4.7e-04 12 3 3 1 1 1.3996533273 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.2e-04 +# RI basis set for Ne (all-electron) relative DI metric: 2.2e-04 Ne RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_2.2e-04 13 1 0 0 1 1 @@ -8430,7 +8430,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_2.2e-04 13 3 3 1 1 1.4750730154 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 6.4e-05 +# RI basis set for Ne (all-electron) relative DI metric: 6.4e-05 Ne RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_6.4e-05 15 1 0 0 1 1 @@ -8464,7 +8464,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_6.4e-05 15 3 3 1 1 1.3228713604 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.4e-05 +# RI basis set for Ne (all-electron) relative DI metric: 2.4e-05 Ne RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_2.4e-05 16 1 0 0 1 1 @@ -8500,7 +8500,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_2.4e-05 16 3 3 1 1 1.3704206901 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for Ne (all-electron) relative DI metric: 1.2e-05 Ne RI_aug-SZV-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_7_6_4_1_0_0_0_error_1.2e-05 18 1 0 0 1 1 @@ -8540,7 +8540,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_7_6_4_1_0_0_0_error_1.2e-05 18 3 3 1 1 1.3842971113 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 3.5e-06 +# RI basis set for Ne (all-electron) relative DI metric: 3.5e-06 Ne RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_3.5e-06 19 1 0 0 1 1 @@ -8582,7 +8582,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_3.5e-06 19 3 3 1 1 7.1577113915 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 9.4e-07 +# RI basis set for Ne (all-electron) relative DI metric: 9.4e-07 Ne RI_aug-SZV-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_7_6_5_2_0_0_0_error_9.4e-07 20 1 0 0 1 1 @@ -8626,7 +8626,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_7_6_5_2_0_0_0_error_9.4e-07 20 3 3 1 1 4.8368320762 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 3.7e-07 +# RI basis set for Ne (all-electron) relative DI metric: 3.7e-07 Ne RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_3.7e-07 22 1 0 0 1 1 @@ -8674,7 +8674,7 @@ Ne RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_3.7e-07 22 3 3 1 1 8.0136192364 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.5e-02 +# RI basis set for Ne (all-electron) relative DI metric: 2.5e-02 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_2.5e-02 8 1 0 0 1 1 @@ -8694,7 +8694,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_2.5e-02 8 2 2 1 1 8.5613192368 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.1e-03 +# RI basis set for Ne (all-electron) relative DI metric: 2.1e-03 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.1e-03 11 1 0 0 1 1 @@ -8720,7 +8720,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.1e-03 11 3 3 1 1 1.9172489113 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 9.2e-04 +# RI basis set for Ne (all-electron) relative DI metric: 9.2e-04 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_9.2e-04 13 1 0 0 1 1 @@ -8750,7 +8750,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_9.2e-04 13 3 3 1 1 1.9468669080 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.8e-04 +# RI basis set for Ne (all-electron) relative DI metric: 2.8e-04 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_2.8e-04 14 1 0 0 1 1 @@ -8782,7 +8782,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_2.8e-04 14 3 3 1 1 1.6711478410 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 7.3e-05 +# RI basis set for Ne (all-electron) relative DI metric: 7.3e-05 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-05 15 1 0 0 1 1 @@ -8816,7 +8816,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-05 15 3 3 1 1 1.9214450206 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.3e-05 +# RI basis set for Ne (all-electron) relative DI metric: 2.3e-05 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_2.3e-05 18 1 0 0 1 1 @@ -8856,7 +8856,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_2.3e-05 18 3 3 1 1 2.7739076724 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.1e-05 +# RI basis set for Ne (all-electron) relative DI metric: 1.1e-05 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.1e-05 19 1 0 0 1 1 @@ -8898,7 +8898,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.1e-05 19 4 4 1 1 2.6885512306 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.9e-06 +# RI basis set for Ne (all-electron) relative DI metric: 1.9e-06 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.9e-06 21 1 0 0 1 1 @@ -8944,7 +8944,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.9e-06 21 4 4 1 1 0.9492710411 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 9.0e-07 +# RI basis set for Ne (all-electron) relative DI metric: 9.0e-07 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_9.0e-07 23 1 0 0 1 1 @@ -8994,7 +8994,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_9.0e-07 23 4 4 1 1 1.1401915323 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 3.3e-07 +# RI basis set for Ne (all-electron) relative DI metric: 3.3e-07 Ne RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_3.3e-07 27 1 0 0 1 1 @@ -9052,7 +9052,7 @@ Ne RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_3.3e-07 27 4 4 1 1 3.4191739506 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.0e-02 +# RI basis set for Ne (all-electron) relative DI metric: 2.0e-02 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.0e-02 11 1 0 0 1 1 @@ -9078,7 +9078,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.0e-02 11 3 3 1 1 4.2793240118 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.0e-02 +# RI basis set for Ne (all-electron) relative DI metric: 1.0e-02 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_3_2_2_0_0_0_error_1.0e-02 13 1 0 0 1 1 @@ -9108,7 +9108,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_3_2_2_0_0_0_error_1.0e-02 13 3 3 1 1 5.4450970581 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 3.5e-03 +# RI basis set for Ne (all-electron) relative DI metric: 3.5e-03 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.5e-03 14 1 0 0 1 1 @@ -9140,7 +9140,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.5e-03 14 4 4 1 1 4.4844153752 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.2e-03 +# RI basis set for Ne (all-electron) relative DI metric: 1.2e-03 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_1.2e-03 16 1 0 0 1 1 @@ -9176,7 +9176,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_1.2e-03 16 4 4 1 1 4.4288823901 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 5.7e-04 +# RI basis set for Ne (all-electron) relative DI metric: 5.7e-04 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_4_4_3_1_0_0_error_5.7e-04 18 1 0 0 1 1 @@ -9216,7 +9216,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_4_4_3_1_0_0_error_5.7e-04 18 4 4 1 1 4.9723209504 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.0e-04 +# RI basis set for Ne (all-electron) relative DI metric: 2.0e-04 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_6_4_4_3_2_0_0_error_2.0e-04 19 1 0 0 1 1 @@ -9258,7 +9258,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_6_4_4_3_2_0_0_error_2.0e-04 19 4 4 1 1 6.4304735805 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 2.7e-05 +# RI basis set for Ne (all-electron) relative DI metric: 2.7e-05 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05 21 1 0 0 1 1 @@ -9304,7 +9304,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05 21 5 5 1 1 1.1056232814 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for Ne (all-electron) relative DI metric: 1.2e-05 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_5_5_4_2_1_0_error_1.2e-05 24 1 0 0 1 1 @@ -9356,7 +9356,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_5_5_4_2_1_0_error_1.2e-05 24 5 5 1 1 0.8608216383 1.0000000000 -# RI basis set for Ne (all-electron) relative accuracy of RI-MP2: 5.8e-06 +# RI basis set for Ne (all-electron) relative DI metric: 5.8e-06 Ne RI_aug-TZVP-MOLOPT-ae_N_RI_113_s_p_d_f_g_h_i_7_5_5_4_3_1_0_error_5.8e-06 25 1 0 0 1 1 @@ -9410,7 +9410,7 @@ Ne RI_aug-TZVP-MOLOPT-ae_N_RI_113_s_p_d_f_g_h_i_7_5_5_4_3_1_0_error_5.8e-06 25 5 5 1 1 1.0193582738 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 3.8e-02 +# RI basis set for Na (all-electron) relative DI metric: 3.8e-02 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.8e-02 3 1 0 0 1 1 @@ -9420,7 +9420,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.8e-02 3 1 1 1 1 9.4222426315 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.9e-03 +# RI basis set for Na (all-electron) relative DI metric: 1.9e-03 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.9e-03 6 1 0 0 1 1 @@ -9436,7 +9436,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.9e-03 6 2 2 1 1 9.4317708295 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 7.2e-04 +# RI basis set for Na (all-electron) relative DI metric: 7.2e-04 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_7.2e-04 7 1 0 0 1 1 @@ -9454,7 +9454,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_7.2e-04 7 2 2 1 1 9.0861714161 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.7e-04 +# RI basis set for Na (all-electron) relative DI metric: 1.7e-04 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.7e-04 8 1 0 0 1 1 @@ -9474,7 +9474,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.7e-04 8 2 2 1 1 7.0230466319 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 3.9e-05 +# RI basis set for Na (all-electron) relative DI metric: 3.9e-05 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_3.9e-05 10 1 0 0 1 1 @@ -9498,7 +9498,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_3.9e-05 10 2 2 1 1 7.4339450521 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 8.2e-07 +# RI basis set for Na (all-electron) relative DI metric: 8.2e-07 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_8.2e-07 16 1 0 0 1 1 @@ -9534,7 +9534,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_8.2e-07 16 2 2 1 1 15.1367531967 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.4e-07 +# RI basis set for Na (all-electron) relative DI metric: 2.4e-07 Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.4e-07 19 1 0 0 1 1 @@ -9576,7 +9576,7 @@ Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.4e-07 19 2 2 1 1 20.0669883688 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.4e-02 +# RI basis set for Na (all-electron) relative DI metric: 2.4e-02 Na RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_2.4e-02 5 1 0 0 1 1 @@ -9590,7 +9590,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_2.4e-02 5 1 1 1 1 7.7007017924 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.4e-03 +# RI basis set for Na (all-electron) relative DI metric: 1.4e-03 Na RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-03 9 1 0 0 1 1 @@ -9612,7 +9612,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-03 9 2 2 1 1 10.6234344169 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 7.2e-05 +# RI basis set for Na (all-electron) relative DI metric: 7.2e-05 Na RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.2e-05 12 1 0 0 1 1 @@ -9640,7 +9640,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.2e-05 12 2 2 1 1 7.4085082238 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.8e-05 +# RI basis set for Na (all-electron) relative DI metric: 2.8e-05 Na RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.8e-05 13 1 0 0 1 1 @@ -9670,7 +9670,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.8e-05 13 2 2 1 1 7.4776468823 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 7.8e-06 +# RI basis set for Na (all-electron) relative DI metric: 7.8e-06 Na RI_aug-SZV-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_7.8e-06 16 1 0 0 1 1 @@ -9706,7 +9706,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_7.8e-06 16 3 3 1 1 1.8233632511 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.6e-06 +# RI basis set for Na (all-electron) relative DI metric: 1.6e-06 Na RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.6e-06 19 1 0 0 1 1 @@ -9748,7 +9748,7 @@ Na RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.6e-06 19 4 4 1 1 0.4464535805 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.8e-02 +# RI basis set for Na (all-electron) relative DI metric: 2.8e-02 Na RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_2.8e-02 7 1 0 0 1 1 @@ -9766,7 +9766,7 @@ Na RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_2.8e-02 7 1 1 1 1 9.7702122514 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.4e-02 +# RI basis set for Na (all-electron) relative DI metric: 1.4e-02 Na RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-02 9 1 0 0 1 1 @@ -9788,7 +9788,7 @@ Na RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-02 9 2 2 1 1 8.2100385770 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 5.4e-03 +# RI basis set for Na (all-electron) relative DI metric: 5.4e-03 Na RI_aug-DZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_5.4e-03 11 1 0 0 1 1 @@ -9814,7 +9814,7 @@ Na RI_aug-DZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_5.4e-03 11 2 2 1 1 4.2528661252 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 9.7e-04 +# RI basis set for Na (all-electron) relative DI metric: 9.7e-04 Na RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_9.7e-04 13 1 0 0 1 1 @@ -9844,7 +9844,7 @@ Na RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_9.7e-04 13 3 3 1 1 2.4004644175 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.5e-04 +# RI basis set for Na (all-electron) relative DI metric: 1.5e-04 Na RI_aug-DZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_1.5e-04 19 1 0 0 1 1 @@ -9886,7 +9886,7 @@ Na RI_aug-DZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_1.5e-04 19 5 5 1 1 0.3097677618 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.6e-02 +# RI basis set for Na (all-electron) relative DI metric: 1.6e-02 Na RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_1.6e-02 9 1 0 0 1 1 @@ -9908,7 +9908,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_1.6e-02 9 3 3 1 1 3.0052673142 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.2e-03 +# RI basis set for Na (all-electron) relative DI metric: 2.2e-03 Na RI_aug-TZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_2.2e-03 14 1 0 0 1 1 @@ -9940,7 +9940,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_2.2e-03 14 3 3 1 1 3.5522045146 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 2.7e-04 +# RI basis set for Na (all-electron) relative DI metric: 2.7e-04 Na RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_2.7e-04 17 1 0 0 1 1 @@ -9978,7 +9978,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_2.7e-04 17 4 4 1 1 2.4742737549 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 7.6e-05 +# RI basis set for Na (all-electron) relative DI metric: 7.6e-05 Na RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_7.6e-05 19 1 0 0 1 1 @@ -10020,7 +10020,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_7.6e-05 19 4 4 1 1 2.8759816146 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 3.3e-05 +# RI basis set for Na (all-electron) relative DI metric: 3.3e-05 Na RI_aug-TZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_3.3e-05 23 1 0 0 1 1 @@ -10070,7 +10070,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_3.3e-05 23 4 4 1 1 2.7475340858 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 1.6e-05 +# RI basis set for Na (all-electron) relative DI metric: 1.6e-05 Na RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_1.6e-05 24 1 0 0 1 1 @@ -10122,7 +10122,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_1.6e-05 24 4 4 1 1 2.7157180157 1.0000000000 -# RI basis set for Na (all-electron) relative accuracy of RI-MP2: 4.3e-06 +# RI basis set for Na (all-electron) relative DI metric: 4.3e-06 Na RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_4.3e-06 27 1 0 0 1 1 @@ -10180,7 +10180,7 @@ Na RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_4.3e-06 27 4 4 1 1 2.8181169662 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 3.4e-02 +# RI basis set for Mg (all-electron) relative DI metric: 3.4e-02 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.4e-02 5 1 0 0 1 1 @@ -10194,7 +10194,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.4e-02 5 1 1 1 1 12.7576069267 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for Mg (all-electron) relative DI metric: 1.5e-02 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_1.5e-02 9 1 0 0 1 1 @@ -10216,7 +10216,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_1.5e-02 9 1 1 1 1 7.0692745964 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.1e-03 +# RI basis set for Mg (all-electron) relative DI metric: 1.1e-03 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_7_4_1_0_0_0_0_error_1.1e-03 12 1 0 0 1 1 @@ -10244,7 +10244,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_7_4_1_0_0_0_0_error_1.1e-03 12 2 2 1 1 11.7369785276 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 3.9e-06 +# RI basis set for Mg (all-electron) relative DI metric: 3.9e-06 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_3.9e-06 14 1 0 0 1 1 @@ -10276,7 +10276,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_3.9e-06 14 2 2 1 1 8.5016927123 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.6e-06 +# RI basis set for Mg (all-electron) relative DI metric: 1.6e-06 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.6e-06 15 1 0 0 1 1 @@ -10310,7 +10310,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.6e-06 15 2 2 1 1 9.3237396067 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 2.9e-07 +# RI basis set for Mg (all-electron) relative DI metric: 2.9e-07 Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.9e-07 17 1 0 0 1 1 @@ -10348,7 +10348,7 @@ Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.9e-07 17 2 2 1 1 15.8676238442 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.3e-02 +# RI basis set for Mg (all-electron) relative DI metric: 1.3e-02 Mg RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_1.3e-02 10 1 0 0 1 1 @@ -10372,7 +10372,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_1.3e-02 10 2 2 1 1 0.1678555406 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 4.3e-03 +# RI basis set for Mg (all-electron) relative DI metric: 4.3e-03 Mg RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-03 11 1 0 0 1 1 @@ -10398,7 +10398,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-03 11 2 2 1 1 12.1555511383 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 7.7e-04 +# RI basis set for Mg (all-electron) relative DI metric: 7.7e-04 Mg RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.7e-04 12 1 0 0 1 1 @@ -10426,7 +10426,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.7e-04 12 2 2 1 1 12.0275842468 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 3.6e-04 +# RI basis set for Mg (all-electron) relative DI metric: 3.6e-04 Mg RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_3.6e-04 13 1 0 0 1 1 @@ -10456,7 +10456,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_3.6e-04 13 2 2 1 1 9.1854836847 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for Mg (all-electron) relative DI metric: 1.2e-05 Mg RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.2e-05 15 1 0 0 1 1 @@ -10490,7 +10490,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.2e-05 15 2 2 1 1 9.3363931765 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.8e-06 +# RI basis set for Mg (all-electron) relative DI metric: 1.8e-06 Mg RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.8e-06 16 1 0 0 1 1 @@ -10526,7 +10526,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.8e-06 16 3 3 1 1 0.6047690570 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 6.7e-07 +# RI basis set for Mg (all-electron) relative DI metric: 6.7e-07 Mg RI_aug-SZV-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_6_1_1_0_0_error_6.7e-07 21 1 0 0 1 1 @@ -10572,7 +10572,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_6_1_1_0_0_error_6.7e-07 21 4 4 1 1 0.5536024977 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 3.2e-07 +# RI basis set for Mg (all-electron) relative DI metric: 3.2e-07 Mg RI_aug-SZV-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_6_6_3_1_0_0_error_3.2e-07 23 1 0 0 1 1 @@ -10622,7 +10622,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_6_6_3_1_0_0_error_3.2e-07 23 4 4 1 1 0.5530610059 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.5e-07 +# RI basis set for Mg (all-electron) relative DI metric: 1.5e-07 Mg RI_aug-SZV-MOLOPT-ae_N_RI_110_s_p_d_f_g_h_i_7_6_6_4_3_0_0_error_1.5e-07 26 1 0 0 1 1 @@ -10678,7 +10678,7 @@ Mg RI_aug-SZV-MOLOPT-ae_N_RI_110_s_p_d_f_g_h_i_7_6_6_4_3_0_0_error_1.5e-07 26 4 4 1 1 0.8175883887 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.9e-02 +# RI basis set for Mg (all-electron) relative DI metric: 1.9e-02 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.9e-02 9 1 0 0 1 1 @@ -10700,7 +10700,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.9e-02 9 2 2 1 1 13.4574256888 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 7.0e-03 +# RI basis set for Mg (all-electron) relative DI metric: 7.0e-03 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_7.0e-03 14 1 0 0 1 1 @@ -10732,7 +10732,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_7.0e-03 14 2 2 1 1 10.0746342527 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 2.9e-03 +# RI basis set for Mg (all-electron) relative DI metric: 2.9e-03 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_4_4_1_0_0_0_error_2.9e-03 16 1 0 0 1 1 @@ -10768,7 +10768,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_4_4_1_0_0_0_error_2.9e-03 16 3 3 1 1 1.7163613523 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 2.3e-04 +# RI basis set for Mg (all-electron) relative DI metric: 2.3e-04 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_2.3e-04 18 1 0 0 1 1 @@ -10808,7 +10808,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_2.3e-04 18 3 3 1 1 2.2268858235 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.0e-04 +# RI basis set for Mg (all-electron) relative DI metric: 1.0e-04 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.0e-04 19 1 0 0 1 1 @@ -10850,7 +10850,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.0e-04 19 3 3 1 1 2.2998506615 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 4.2e-05 +# RI basis set for Mg (all-electron) relative DI metric: 4.2e-05 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.2e-05 20 1 0 0 1 1 @@ -10894,7 +10894,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.2e-05 20 3 3 1 1 2.9173155221 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.2e-05 +# RI basis set for Mg (all-electron) relative DI metric: 1.2e-05 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_1.2e-05 22 1 0 0 1 1 @@ -10942,7 +10942,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_1.2e-05 22 3 3 1 1 2.8995781052 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 5.2e-06 +# RI basis set for Mg (all-electron) relative DI metric: 5.2e-06 Mg RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_5.2e-06 26 1 0 0 1 1 @@ -10998,7 +10998,7 @@ Mg RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_5.2e-06 26 4 4 1 1 0.9376332299 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 4.3e-02 +# RI basis set for Mg (all-electron) relative DI metric: 4.3e-02 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-02 11 1 0 0 1 1 @@ -11024,7 +11024,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-02 11 2 2 1 1 6.7865536540 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 9.2e-03 +# RI basis set for Mg (all-electron) relative DI metric: 9.2e-03 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_9.2e-03 14 1 0 0 1 1 @@ -11056,7 +11056,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_9.2e-03 14 3 3 1 1 5.6905416713 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 3.4e-03 +# RI basis set for Mg (all-electron) relative DI metric: 3.4e-03 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_3.4e-03 15 1 0 0 1 1 @@ -11090,7 +11090,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_3.4e-03 15 3 3 1 1 4.1486947963 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 1.3e-03 +# RI basis set for Mg (all-electron) relative DI metric: 1.3e-03 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_6_4_4_2_0_0_0_error_1.3e-03 16 1 0 0 1 1 @@ -11126,7 +11126,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_6_4_4_2_0_0_0_error_1.3e-03 16 3 3 1 1 4.6711872048 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 5.3e-04 +# RI basis set for Mg (all-electron) relative DI metric: 5.3e-04 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_5.3e-04 19 1 0 0 1 1 @@ -11168,7 +11168,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_5.3e-04 19 3 3 1 1 4.9147198489 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 2.0e-04 +# RI basis set for Mg (all-electron) relative DI metric: 2.0e-04 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_2.0e-04 20 1 0 0 1 1 @@ -11212,7 +11212,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_2.0e-04 20 3 3 1 1 5.1945360810 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 9.0e-05 +# RI basis set for Mg (all-electron) relative DI metric: 9.0e-05 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_5_3_0_0_0_error_9.0e-05 21 1 0 0 1 1 @@ -11258,7 +11258,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_5_3_0_0_0_error_9.0e-05 21 3 3 1 1 5.8040188033 1.0000000000 -# RI basis set for Mg (all-electron) relative accuracy of RI-MP2: 2.6e-05 +# RI basis set for Mg (all-electron) relative DI metric: 2.6e-05 Mg RI_aug-TZVP-MOLOPT-ae_N_RI_090_s_p_d_f_g_h_i_7_6_6_5_0_0_0_error_2.6e-05 24 1 0 0 1 1 @@ -11310,7 +11310,7 @@ Mg RI_aug-TZVP-MOLOPT-ae_N_RI_090_s_p_d_f_g_h_i_7_6_6_5_0_0_0_error_2.6e-05 24 3 3 1 1 5.5136554193 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.5e-07 +# RI basis set for Al (all-electron) relative DI metric: 3.5e-07 Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-07 5 1 0 0 1 1 @@ -11324,7 +11324,7 @@ Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-07 5 1 1 1 1 0.3908787346 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.0e-09 +# RI basis set for Al (all-electron) relative DI metric: 2.0e-09 Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_6_5_0_0_0_0_0_error_2.0e-09 11 1 0 0 1 1 @@ -11350,7 +11350,7 @@ Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_6_5_0_0_0_0_0_error_2.0e-09 11 1 1 1 1 2.3257466667 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.0e-11 +# RI basis set for Al (all-electron) relative DI metric: 5.0e-11 Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_5.0e-11 13 1 0 0 1 1 @@ -11380,7 +11380,7 @@ Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_5.0e-11 13 1 1 1 1 2.3257466667 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.8e-02 +# RI basis set for Al (all-electron) relative DI metric: 1.8e-02 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.8e-02 9 1 0 0 1 1 @@ -11402,7 +11402,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.8e-02 9 2 2 1 1 0.3187332304 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.2e-03 +# RI basis set for Al (all-electron) relative DI metric: 3.2e-03 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_3.2e-03 12 1 0 0 1 1 @@ -11430,7 +11430,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_3.2e-03 12 3 3 1 1 0.7818307706 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.3e-04 +# RI basis set for Al (all-electron) relative DI metric: 2.3e-04 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.3e-04 13 1 0 0 1 1 @@ -11460,7 +11460,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.3e-04 13 3 3 1 1 0.7011450216 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.4e-05 +# RI basis set for Al (all-electron) relative DI metric: 1.4e-05 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.4e-05 16 1 0 0 1 1 @@ -11496,7 +11496,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.4e-05 16 3 3 1 1 0.5292616794 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.2e-06 +# RI basis set for Al (all-electron) relative DI metric: 3.2e-06 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.2e-06 17 1 0 0 1 1 @@ -11534,7 +11534,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.2e-06 17 3 3 1 1 0.3670211484 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.9e-07 +# RI basis set for Al (all-electron) relative DI metric: 5.9e-07 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_5.9e-07 18 1 0 0 1 1 @@ -11574,7 +11574,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_5.9e-07 18 3 3 1 1 3.0152123180 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.4e-07 +# RI basis set for Al (all-electron) relative DI metric: 2.4e-07 Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_103_s_p_d_f_g_h_i_7_5_5_2_2_1_1_error_2.4e-07 23 1 0 0 1 1 @@ -11624,7 +11624,7 @@ Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_103_s_p_d_f_g_h_i_7_5_5_2_2_1_1_error_2.4e-07 23 6 6 1 1 0.5835397040 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 8.9e-04 +# RI basis set for Al (all-electron) relative DI metric: 8.9e-04 Al RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_8.9e-04 11 1 0 0 1 1 @@ -11650,7 +11650,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_8.9e-04 11 3 3 1 1 1.3863267342 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 7.3e-05 +# RI basis set for Al (all-electron) relative DI metric: 7.3e-05 Al RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_7.3e-05 13 1 0 0 1 1 @@ -11680,7 +11680,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_7.3e-05 13 4 4 1 1 0.1595857001 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.2e-05 +# RI basis set for Al (all-electron) relative DI metric: 2.2e-05 Al RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_5_2_1_1_0_0_error_2.2e-05 16 1 0 0 1 1 @@ -11716,7 +11716,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_5_2_1_1_0_0_error_2.2e-05 16 4 4 1 1 1.1215509910 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.0e-05 +# RI basis set for Al (all-electron) relative DI metric: 1.0e-05 Al RI_aug-SZV-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-05 17 1 0 0 1 1 @@ -11754,7 +11754,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-05 17 4 4 1 1 0.6472513927 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 6.1e-07 +# RI basis set for Al (all-electron) relative DI metric: 6.1e-07 Al RI_aug-SZV-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_6.1e-07 18 1 0 0 1 1 @@ -11794,7 +11794,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_6.1e-07 18 4 4 1 1 0.6467670730 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.9e-07 +# RI basis set for Al (all-electron) relative DI metric: 1.9e-07 Al RI_aug-SZV-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_4_1_1_0_error_1.9e-07 23 1 0 0 1 1 @@ -11844,7 +11844,7 @@ Al RI_aug-SZV-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_4_1_1_0_error_1.9e-07 23 5 5 1 1 0.5968196068 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.9e-02 +# RI basis set for Al (all-electron) relative DI metric: 2.9e-02 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_023_s_p_d_f_g_h_i_6_4_1_0_0_0_0_error_2.9e-02 11 1 0 0 1 1 @@ -11870,7 +11870,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_023_s_p_d_f_g_h_i_6_4_1_0_0_0_0_error_2.9e-02 11 2 2 1 1 0.4467425568 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.4e-02 +# RI basis set for Al (all-electron) relative DI metric: 1.4e-02 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_4_4_1_0_0_0_error_1.4e-02 15 1 0 0 1 1 @@ -11904,7 +11904,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_4_4_1_0_0_0_error_1.4e-02 15 3 3 1 1 0.1250839652 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.6e-04 +# RI basis set for Al (all-electron) relative DI metric: 3.6e-04 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.6e-04 17 1 0 0 1 1 @@ -11942,7 +11942,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.6e-04 17 3 3 1 1 0.2124515418 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.6e-05 +# RI basis set for Al (all-electron) relative DI metric: 3.6e-05 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.6e-05 19 1 0 0 1 1 @@ -11984,7 +11984,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.6e-05 19 4 4 1 1 0.7918944001 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.3e-05 +# RI basis set for Al (all-electron) relative DI metric: 1.3e-05 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_082_s_p_d_f_g_h_i_7_6_5_2_2_0_0_error_1.3e-05 22 1 0 0 1 1 @@ -12032,7 +12032,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_082_s_p_d_f_g_h_i_7_6_5_2_2_0_0_error_1.3e-05 22 4 4 1 1 1.1799200029 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.8e-06 +# RI basis set for Al (all-electron) relative DI metric: 5.8e-06 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_5.8e-06 24 1 0 0 1 1 @@ -12084,7 +12084,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_5.8e-06 24 5 5 1 1 0.5655098133 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.8e-06 +# RI basis set for Al (all-electron) relative DI metric: 2.8e-06 Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_111_s_p_d_f_g_h_i_7_6_5_3_2_2_0_error_2.8e-06 25 1 0 0 1 1 @@ -12138,7 +12138,7 @@ Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_111_s_p_d_f_g_h_i_7_6_5_3_2_2_0_error_2.8e-06 25 5 5 1 1 0.6324307990 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 3.6e-02 +# RI basis set for Al (all-electron) relative DI metric: 3.6e-02 Al RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.6e-02 7 1 0 0 1 1 @@ -12156,7 +12156,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.6e-02 7 3 3 1 1 1.3042395869 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.4e-02 +# RI basis set for Al (all-electron) relative DI metric: 1.4e-02 Al RI_aug-DZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_1.4e-02 12 1 0 0 1 1 @@ -12184,7 +12184,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_1.4e-02 12 3 3 1 1 0.5952661157 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.4e-03 +# RI basis set for Al (all-electron) relative DI metric: 5.4e-03 Al RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_5.4e-03 13 1 0 0 1 1 @@ -12214,7 +12214,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_5.4e-03 13 4 4 1 1 0.1071744059 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 4.8e-04 +# RI basis set for Al (all-electron) relative DI metric: 4.8e-04 Al RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_4.8e-04 17 1 0 0 1 1 @@ -12252,7 +12252,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_4.8e-04 17 4 4 1 1 0.5788995771 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.9e-05 +# RI basis set for Al (all-electron) relative DI metric: 5.9e-05 Al RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.9e-05 18 1 0 0 1 1 @@ -12292,7 +12292,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.9e-05 18 4 4 1 1 0.6737137230 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.9e-05 +# RI basis set for Al (all-electron) relative DI metric: 2.9e-05 Al RI_aug-DZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_2.9e-05 23 1 0 0 1 1 @@ -12342,7 +12342,7 @@ Al RI_aug-DZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_2.9e-05 23 5 5 1 1 0.4529777996 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 4.0e-02 +# RI basis set for Al (all-electron) relative DI metric: 4.0e-02 Al RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_4.0e-02 12 1 0 0 1 1 @@ -12370,7 +12370,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_4.0e-02 12 3 3 1 1 0.5352041202 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.9e-02 +# RI basis set for Al (all-electron) relative DI metric: 1.9e-02 Al RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_7_5_1_1_1_0_0_error_1.9e-02 15 1 0 0 1 1 @@ -12404,7 +12404,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_7_5_1_1_1_0_0_error_1.9e-02 15 4 4 1 1 0.2592360415 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.5e-03 +# RI basis set for Al (all-electron) relative DI metric: 5.5e-03 Al RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.5e-03 18 1 0 0 1 1 @@ -12444,7 +12444,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.5e-03 18 4 4 1 1 0.4406243897 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 1.2e-03 +# RI basis set for Al (all-electron) relative DI metric: 1.2e-03 Al RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_1.2e-03 20 1 0 0 1 1 @@ -12488,7 +12488,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_1.2e-03 20 4 4 1 1 0.2932748019 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 5.6e-04 +# RI basis set for Al (all-electron) relative DI metric: 5.6e-04 Al RI_aug-TZVP-MOLOPT-ae_N_RI_088_s_p_d_f_g_h_i_7_6_3_3_3_0_0_error_5.6e-04 22 1 0 0 1 1 @@ -12536,7 +12536,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_088_s_p_d_f_g_h_i_7_6_3_3_3_0_0_error_5.6e-04 22 4 4 1 1 0.8720677539 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 2.1e-04 +# RI basis set for Al (all-electron) relative DI metric: 2.1e-04 Al RI_aug-TZVP-MOLOPT-ae_N_RI_103_s_p_d_f_g_h_i_7_6_6_3_3_0_0_error_2.1e-04 25 1 0 0 1 1 @@ -12590,7 +12590,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_103_s_p_d_f_g_h_i_7_6_6_3_3_0_0_error_2.1e-04 25 4 4 1 1 1.0675377716 1.0000000000 -# RI basis set for Al (all-electron) relative accuracy of RI-MP2: 9.4e-05 +# RI basis set for Al (all-electron) relative DI metric: 9.4e-05 Al RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_9.4e-05 27 1 0 0 1 1 @@ -12648,7 +12648,7 @@ Al RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_9.4e-05 27 4 4 1 1 1.0466606305 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 3.9e-02 +# RI basis set for Si (all-electron) relative DI metric: 3.9e-02 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.9e-02 5 1 0 0 1 1 @@ -12662,7 +12662,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.9e-02 5 1 1 1 1 0.4922516821 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 2.4e-03 +# RI basis set for Si (all-electron) relative DI metric: 2.4e-03 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_2.4e-03 6 1 0 0 1 1 @@ -12678,7 +12678,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_2.4e-03 6 2 2 1 1 0.3865257808 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 7.4e-05 +# RI basis set for Si (all-electron) relative DI metric: 7.4e-05 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_7.4e-05 8 1 0 0 1 1 @@ -12698,7 +12698,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_7.4e-05 8 2 2 1 1 0.6536273161 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 5.7e-07 +# RI basis set for Si (all-electron) relative DI metric: 5.7e-07 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_5.7e-07 9 1 0 0 1 1 @@ -12720,7 +12720,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_5.7e-07 9 2 2 1 1 0.5718799572 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 2.5e-07 +# RI basis set for Si (all-electron) relative DI metric: 2.5e-07 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07 13 1 0 0 1 1 @@ -12750,7 +12750,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07 13 2 2 1 1 2.4473404638 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 4.8e-08 +# RI basis set for Si (all-electron) relative DI metric: 4.8e-08 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_039_s_p_d_f_g_h_i_7_4_4_0_0_0_0_error_4.8e-08 15 1 0 0 1 1 @@ -12784,7 +12784,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_039_s_p_d_f_g_h_i_7_4_4_0_0_0_0_error_4.8e-08 15 2 2 1 1 2.4645683333 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 7.9e-09 +# RI basis set for Si (all-electron) relative DI metric: 7.9e-09 Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_7.9e-09 16 1 0 0 1 1 @@ -12820,7 +12820,7 @@ Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_7.9e-09 16 2 2 1 1 2.4645683333 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 2.7e-02 +# RI basis set for Si (all-electron) relative DI metric: 2.7e-02 Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.7e-02 9 1 0 0 1 1 @@ -12842,7 +12842,7 @@ Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.7e-02 9 2 2 1 1 0.4824179975 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.1e-03 +# RI basis set for Si (all-electron) relative DI metric: 1.1e-03 Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_1.1e-03 14 1 0 0 1 1 @@ -12874,7 +12874,7 @@ Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_1.1e-03 14 3 3 1 1 0.3342848887 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.0e-04 +# RI basis set for Si (all-electron) relative DI metric: 1.0e-04 Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-04 17 1 0 0 1 1 @@ -12912,7 +12912,7 @@ Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-04 17 4 4 1 1 0.9877232823 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 6.2e-06 +# RI basis set for Si (all-electron) relative DI metric: 6.2e-06 Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_6.2e-06 19 1 0 0 1 1 @@ -12954,7 +12954,7 @@ Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_6.2e-06 19 5 5 1 1 1.5446348872 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 9.6e-07 +# RI basis set for Si (all-electron) relative DI metric: 9.6e-07 Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_105_s_p_d_f_g_h_i_7_5_4_3_2_1_1_error_9.6e-07 23 1 0 0 1 1 @@ -13004,7 +13004,7 @@ Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_105_s_p_d_f_g_h_i_7_5_4_3_2_1_1_error_9.6e-07 23 6 6 1 1 0.7609785222 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.3e-02 +# RI basis set for Si (all-electron) relative DI metric: 1.3e-02 Si RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_7_3_1_0_0_0_0_error_1.3e-02 11 1 0 0 1 1 @@ -13030,7 +13030,7 @@ Si RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_7_3_1_0_0_0_0_error_1.3e-02 11 2 2 1 1 0.4401352998 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 5.1e-03 +# RI basis set for Si (all-electron) relative DI metric: 5.1e-03 Si RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_5.1e-03 15 1 0 0 1 1 @@ -13064,7 +13064,7 @@ Si RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_5.1e-03 15 3 3 1 1 0.8119225063 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 5.1e-04 +# RI basis set for Si (all-electron) relative DI metric: 5.1e-04 Si RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_5.1e-04 16 1 0 0 1 1 @@ -13100,7 +13100,7 @@ Si RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_5.1e-04 16 3 3 1 1 0.4383282583 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.8e-04 +# RI basis set for Si (all-electron) relative DI metric: 1.8e-04 Si RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.8e-04 17 1 0 0 1 1 @@ -13138,7 +13138,7 @@ Si RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.8e-04 17 3 3 1 1 4.1567115861 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 7.9e-05 +# RI basis set for Si (all-electron) relative DI metric: 7.9e-05 Si RI_aug-SZV-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_7.9e-05 21 1 0 0 1 1 @@ -13184,7 +13184,7 @@ Si RI_aug-SZV-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_7.9e-05 21 5 5 1 1 0.8432105206 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 5.0e-03 +# RI basis set for Si (all-electron) relative DI metric: 5.0e-03 Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_5.0e-03 15 1 0 0 1 1 @@ -13218,7 +13218,7 @@ Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_5.0e-03 15 3 3 1 1 0.5302519482 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.1e-04 +# RI basis set for Si (all-electron) relative DI metric: 1.1e-04 Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_1.1e-04 19 1 0 0 1 1 @@ -13260,7 +13260,7 @@ Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_1.1e-04 19 4 4 1 1 0.4041851474 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 4.5e-05 +# RI basis set for Si (all-electron) relative DI metric: 4.5e-05 Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.5e-05 20 1 0 0 1 1 @@ -13304,7 +13304,7 @@ Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.5e-05 20 4 4 1 1 0.3489091707 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.8e-05 +# RI basis set for Si (all-electron) relative DI metric: 1.8e-05 Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_1.8e-05 22 1 0 0 1 1 @@ -13352,7 +13352,7 @@ Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_1.8e-05 22 4 4 1 1 0.3219403731 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 8.8e-06 +# RI basis set for Si (all-electron) relative DI metric: 8.8e-06 Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_8.8e-06 24 1 0 0 1 1 @@ -13404,7 +13404,7 @@ Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_8.8e-06 24 4 4 1 1 0.3257400060 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 7.3e-03 +# RI basis set for Si (all-electron) relative DI metric: 7.3e-03 Si RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-03 15 1 0 0 1 1 @@ -13438,7 +13438,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-03 15 3 3 1 1 0.5175002308 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 2.3e-03 +# RI basis set for Si (all-electron) relative DI metric: 2.3e-03 Si RI_aug-DZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_2.3e-03 17 1 0 0 1 1 @@ -13476,7 +13476,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_2.3e-03 17 3 3 1 1 4.3238280850 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 9.3e-04 +# RI basis set for Si (all-electron) relative DI metric: 9.3e-04 Si RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_6_5_3_3_1_0_0_error_9.3e-04 18 1 0 0 1 1 @@ -13516,7 +13516,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_6_5_3_3_1_0_0_error_9.3e-04 18 4 4 1 1 0.7358443877 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 9.4e-05 +# RI basis set for Si (all-electron) relative DI metric: 9.4e-05 Si RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_9.4e-05 20 1 0 0 1 1 @@ -13560,7 +13560,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_9.4e-05 20 4 4 1 1 0.3067086688 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 4.1e-05 +# RI basis set for Si (all-electron) relative DI metric: 4.1e-05 Si RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_4.1e-05 22 1 0 0 1 1 @@ -13608,7 +13608,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_4.1e-05 22 4 4 1 1 0.2904248227 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 7.3e-06 +# RI basis set for Si (all-electron) relative DI metric: 7.3e-06 Si RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_7.3e-06 27 1 0 0 1 1 @@ -13666,7 +13666,7 @@ Si RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_7.3e-06 27 4 4 1 1 0.3847349515 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 6.1e-03 +# RI basis set for Si (all-electron) relative DI metric: 6.1e-03 Si RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_6.1e-03 16 1 0 0 1 1 @@ -13702,7 +13702,7 @@ Si RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_6.1e-03 16 3 3 1 1 0.4771794519 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 2.2e-03 +# RI basis set for Si (all-electron) relative DI metric: 2.2e-03 Si RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_3_3_0_0_0_error_2.2e-03 19 1 0 0 1 1 @@ -13744,7 +13744,7 @@ Si RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_3_3_0_0_0_error_2.2e-03 19 3 3 1 1 2.3399734109 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 1.0e-03 +# RI basis set for Si (all-electron) relative DI metric: 1.0e-03 Si RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_1.0e-03 21 1 0 0 1 1 @@ -13790,7 +13790,7 @@ Si RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_1.0e-03 21 5 5 1 1 0.7274774545 1.0000000000 -# RI basis set for Si (all-electron) relative accuracy of RI-MP2: 3.1e-04 +# RI basis set for Si (all-electron) relative DI metric: 3.1e-04 Si RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_6_4_3_3_1_0_error_3.1e-04 24 1 0 0 1 1 @@ -13842,7 +13842,7 @@ Si RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_6_4_3_3_1_0_error_3.1e-04 24 5 5 1 1 0.6001819968 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 3.5e-02 +# RI basis set for P (all-electron) relative DI metric: 3.5e-02 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_3.5e-02 4 1 0 0 1 1 @@ -13854,7 +13854,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_3.5e-02 4 1 1 1 1 0.6333235789 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.7e-03 +# RI basis set for P (all-electron) relative DI metric: 1.7e-03 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.7e-03 6 1 0 0 1 1 @@ -13870,7 +13870,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.7e-03 6 1 1 1 1 0.4890657101 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.5e-05 +# RI basis set for P (all-electron) relative DI metric: 1.5e-05 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_1.5e-05 7 1 0 0 1 1 @@ -13888,7 +13888,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_1.5e-05 7 2 2 1 1 1.6246175929 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.6e-06 +# RI basis set for P (all-electron) relative DI metric: 1.6e-06 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.6e-06 8 1 0 0 1 1 @@ -13908,7 +13908,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.6e-06 8 2 2 1 1 1.0780338463 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 4.6e-07 +# RI basis set for P (all-electron) relative DI metric: 4.6e-07 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_4.6e-07 11 1 0 0 1 1 @@ -13934,7 +13934,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_4.6e-07 11 2 2 1 1 2.9046195532 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 4.1e-08 +# RI basis set for P (all-electron) relative DI metric: 4.1e-08 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_4.1e-08 14 1 0 0 1 1 @@ -13966,7 +13966,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_4.1e-08 14 2 2 1 1 2.9051716666 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.4e-08 +# RI basis set for P (all-electron) relative DI metric: 1.4e-08 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08 16 1 0 0 1 1 @@ -14002,7 +14002,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08 16 2 2 1 1 2.9051716667 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 2.5e-09 +# RI basis set for P (all-electron) relative DI metric: 2.5e-09 P RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.5e-09 17 1 0 0 1 1 @@ -14040,7 +14040,7 @@ P RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.5e-09 17 2 2 1 1 2.9051716667 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.1e-02 +# RI basis set for P (all-electron) relative DI metric: 1.1e-02 P RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.1e-02 10 1 0 0 1 1 @@ -14064,7 +14064,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.1e-02 10 3 3 1 1 1.2789537381 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 5.4e-04 +# RI basis set for P (all-electron) relative DI metric: 5.4e-04 P RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_6_1_1_0_0_0_error_5.4e-04 15 1 0 0 1 1 @@ -14098,7 +14098,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_6_1_1_0_0_0_error_5.4e-04 15 3 3 1 1 0.5399090909 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 2.2e-04 +# RI basis set for P (all-electron) relative DI metric: 2.2e-04 P RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_6_2_1_1_0_0_error_2.2e-04 17 1 0 0 1 1 @@ -14136,7 +14136,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_6_2_1_1_0_0_error_2.2e-04 17 4 4 1 1 1.7206756859 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 6.8e-05 +# RI basis set for P (all-electron) relative DI metric: 6.8e-05 P RI_aug-SZV-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_6_3_1_1_1_0_error_6.8e-05 19 1 0 0 1 1 @@ -14178,7 +14178,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_6_3_1_1_1_0_error_6.8e-05 19 5 5 1 1 0.8078459226 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 2.7e-05 +# RI basis set for P (all-electron) relative DI metric: 2.7e-05 P RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_2.7e-05 21 1 0 0 1 1 @@ -14224,7 +14224,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_2.7e-05 21 5 5 1 1 1.3418205458 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 5.9e-06 +# RI basis set for P (all-electron) relative DI metric: 5.9e-06 P RI_aug-SZV-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_5.9e-06 23 1 0 0 1 1 @@ -14274,7 +14274,7 @@ P RI_aug-SZV-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_5.9e-06 23 5 5 1 1 1.1074917370 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 4.5e-02 +# RI basis set for P (all-electron) relative DI metric: 4.5e-02 P RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_4.5e-02 6 1 0 0 1 1 @@ -14290,7 +14290,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_4.5e-02 6 3 3 1 1 0.7614069144 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for P (all-electron) relative DI metric: 1.5e-02 P RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.5e-02 11 1 0 0 1 1 @@ -14316,7 +14316,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.5e-02 11 3 3 1 1 0.7459846397 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 5.3e-03 +# RI basis set for P (all-electron) relative DI metric: 5.3e-03 P RI_aug-DZVP-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_5.3e-03 16 1 0 0 1 1 @@ -14352,7 +14352,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_5.3e-03 16 3 3 1 1 4.0410788412 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.2e-03 +# RI basis set for P (all-electron) relative DI metric: 1.2e-03 P RI_aug-DZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_1.2e-03 18 1 0 0 1 1 @@ -14392,7 +14392,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_1.2e-03 18 4 4 1 1 0.7921155406 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 5.5e-04 +# RI basis set for P (all-electron) relative DI metric: 5.5e-04 P RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.5e-04 20 1 0 0 1 1 @@ -14436,7 +14436,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.5e-04 20 4 4 1 1 0.5343303195 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.2e-04 +# RI basis set for P (all-electron) relative DI metric: 1.2e-04 P RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.2e-04 21 1 0 0 1 1 @@ -14482,7 +14482,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.2e-04 21 4 4 1 1 0.6369322866 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 5.3e-05 +# RI basis set for P (all-electron) relative DI metric: 5.3e-05 P RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_6_4_3_2_1_0_error_5.3e-05 23 1 0 0 1 1 @@ -14532,7 +14532,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_6_4_3_2_1_0_error_5.3e-05 23 5 5 1 1 1.0634773833 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 2.4e-05 +# RI basis set for P (all-electron) relative DI metric: 2.4e-05 P RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_6_3_2_1_0_error_2.4e-05 25 1 0 0 1 1 @@ -14586,7 +14586,7 @@ P RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_6_3_2_1_0_error_2.4e-05 25 5 5 1 1 0.1921287791 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 2.0e-02 +# RI basis set for P (all-electron) relative DI metric: 2.0e-02 P RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.0e-02 12 1 0 0 1 1 @@ -14614,7 +14614,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.0e-02 12 3 3 1 1 0.8459724215 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 7.8e-03 +# RI basis set for P (all-electron) relative DI metric: 7.8e-03 P RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_7.8e-03 17 1 0 0 1 1 @@ -14652,7 +14652,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_7.8e-03 17 4 4 1 1 0.7964839133 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 3.7e-03 +# RI basis set for P (all-electron) relative DI metric: 3.7e-03 P RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.7e-03 19 1 0 0 1 1 @@ -14694,7 +14694,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.7e-03 19 4 4 1 1 0.5225410505 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 1.5e-03 +# RI basis set for P (all-electron) relative DI metric: 1.5e-03 P RI_aug-TZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.5e-03 21 1 0 0 1 1 @@ -14740,7 +14740,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.5e-03 21 4 4 1 1 0.7145775777 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 6.9e-04 +# RI basis set for P (all-electron) relative DI metric: 6.9e-04 P RI_aug-TZVP-MOLOPT-ae_N_RI_086_s_p_d_f_g_h_i_7_6_4_3_1_1_0_error_6.9e-04 22 1 0 0 1 1 @@ -14788,7 +14788,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_086_s_p_d_f_g_h_i_7_6_4_3_1_1_0_error_6.9e-04 22 5 5 1 1 0.7900005992 1.0000000000 -# RI basis set for P (all-electron) relative accuracy of RI-MP2: 3.3e-04 +# RI basis set for P (all-electron) relative DI metric: 3.3e-04 P RI_aug-TZVP-MOLOPT-ae_N_RI_111_s_p_d_f_g_h_i_7_6_4_4_3_1_0_error_3.3e-04 25 1 0 0 1 1 @@ -14842,7 +14842,7 @@ P RI_aug-TZVP-MOLOPT-ae_N_RI_111_s_p_d_f_g_h_i_7_6_4_4_3_1_0_error_3.3e-04 25 5 5 1 1 0.3576840752 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 3.1e-02 +# RI basis set for S (all-electron) relative DI metric: 3.1e-02 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_3.1e-02 7 1 0 0 1 1 @@ -14860,7 +14860,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_3.1e-02 7 1 1 1 1 2.1455282027 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 4.3e-03 +# RI basis set for S (all-electron) relative DI metric: 4.3e-03 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_4.3e-03 8 1 0 0 1 1 @@ -14880,7 +14880,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_4.3e-03 8 2 2 1 1 1.8558999609 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 3.2e-06 +# RI basis set for S (all-electron) relative DI metric: 3.2e-06 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_3.2e-06 10 1 0 0 1 1 @@ -14904,7 +14904,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_3.2e-06 10 2 2 1 1 0.9718065294 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.6e-06 +# RI basis set for S (all-electron) relative DI metric: 1.6e-06 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_031_s_p_d_f_g_h_i_7_3_3_0_0_0_0_error_1.6e-06 13 1 0 0 1 1 @@ -14934,7 +14934,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_031_s_p_d_f_g_h_i_7_3_3_0_0_0_0_error_1.6e-06 13 2 2 1 1 3.3587056559 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.5e-07 +# RI basis set for S (all-electron) relative DI metric: 1.5e-07 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.5e-07 15 1 0 0 1 1 @@ -14968,7 +14968,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.5e-07 15 2 2 1 1 3.3819900000 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 5.1e-08 +# RI basis set for S (all-electron) relative DI metric: 5.1e-08 S RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_5.1e-08 16 1 0 0 1 1 @@ -15004,7 +15004,7 @@ S RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_5.1e-08 16 2 2 1 1 3.3819899997 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for S (all-electron) relative DI metric: 1.5e-02 S RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_6_1_1_1_0_0_0_error_1.5e-02 9 1 0 0 1 1 @@ -15026,7 +15026,7 @@ S RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_6_1_1_1_0_0_0_error_1.5e-02 9 3 3 1 1 0.4410414853 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 2.6e-03 +# RI basis set for S (all-electron) relative DI metric: 2.6e-03 S RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.6e-03 13 1 0 0 1 1 @@ -15056,7 +15056,7 @@ S RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.6e-03 13 3 3 1 1 0.7022586239 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 8.0e-04 +# RI basis set for S (all-electron) relative DI metric: 8.0e-04 S RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_8.0e-04 15 1 0 0 1 1 @@ -15090,7 +15090,7 @@ S RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_8.0e-04 15 3 3 1 1 0.6832682757 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.9e-04 +# RI basis set for S (all-electron) relative DI metric: 1.9e-04 S RI_aug-SZV-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_6_3_2_2_0_0_error_1.9e-04 20 1 0 0 1 1 @@ -15134,7 +15134,7 @@ S RI_aug-SZV-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_6_3_2_2_0_0_error_1.9e-04 20 4 4 1 1 1.4474892985 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.2e-02 +# RI basis set for S (all-electron) relative DI metric: 1.2e-02 S RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_1.2e-02 13 1 0 0 1 1 @@ -15164,7 +15164,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_1.2e-02 13 3 3 1 1 0.8570773350 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 5.2e-03 +# RI basis set for S (all-electron) relative DI metric: 5.2e-03 S RI_aug-DZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_4_3_2_0_0_0_error_5.2e-03 16 1 0 0 1 1 @@ -15200,7 +15200,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_4_3_2_0_0_0_error_5.2e-03 16 3 3 1 1 0.8676881869 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 2.1e-03 +# RI basis set for S (all-electron) relative DI metric: 2.1e-03 S RI_aug-DZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_2.1e-03 19 1 0 0 1 1 @@ -15242,7 +15242,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_2.1e-03 19 4 4 1 1 0.7646178679 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.8e-04 +# RI basis set for S (all-electron) relative DI metric: 1.8e-04 S RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_1.8e-04 20 1 0 0 1 1 @@ -15286,7 +15286,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_1.8e-04 20 4 4 1 1 0.5614499318 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 8.5e-05 +# RI basis set for S (all-electron) relative DI metric: 8.5e-05 S RI_aug-DZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_6_5_2_1_0_0_error_8.5e-05 21 1 0 0 1 1 @@ -15332,7 +15332,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_6_5_2_1_0_0_error_8.5e-05 21 4 4 1 1 0.5497230114 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 3.0e-05 +# RI basis set for S (all-electron) relative DI metric: 3.0e-05 S RI_aug-DZVP-MOLOPT-ae_N_RI_098_s_p_d_f_g_h_i_7_6_5_3_3_0_0_error_3.0e-05 24 1 0 0 1 1 @@ -15384,7 +15384,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_098_s_p_d_f_g_h_i_7_6_5_3_3_0_0_error_3.0e-05 24 4 4 1 1 1.7365900772 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.3e-05 +# RI basis set for S (all-electron) relative DI metric: 1.3e-05 S RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_1.3e-05 26 1 0 0 1 1 @@ -15440,7 +15440,7 @@ S RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_1.3e-05 26 4 4 1 1 1.6995491395 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 3.4e-02 +# RI basis set for S (all-electron) relative DI metric: 3.4e-02 S RI_aug-TZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_3.4e-02 14 1 0 0 1 1 @@ -15472,7 +15472,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_3.4e-02 14 3 3 1 1 1.0878420221 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.5e-02 +# RI basis set for S (all-electron) relative DI metric: 1.5e-02 S RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_1.5e-02 17 1 0 0 1 1 @@ -15510,7 +15510,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_1.5e-02 17 4 4 1 1 0.9879880714 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 7.0e-03 +# RI basis set for S (all-electron) relative DI metric: 7.0e-03 S RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_7.0e-03 19 1 0 0 1 1 @@ -15552,7 +15552,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_7.0e-03 19 4 4 1 1 0.7404516823 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 3.4e-03 +# RI basis set for S (all-electron) relative DI metric: 3.4e-03 S RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_3.4e-03 20 1 0 0 1 1 @@ -15596,7 +15596,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_3.4e-03 20 4 4 1 1 0.9288692530 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 1.7e-03 +# RI basis set for S (all-electron) relative DI metric: 1.7e-03 S RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.7e-03 21 1 0 0 1 1 @@ -15642,7 +15642,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.7e-03 21 5 5 1 1 1.3667021350 1.0000000000 -# RI basis set for S (all-electron) relative accuracy of RI-MP2: 4.9e-04 +# RI basis set for S (all-electron) relative DI metric: 4.9e-04 S RI_aug-TZVP-MOLOPT-ae_N_RI_107_s_p_d_f_g_h_i_7_6_5_4_2_1_0_error_4.9e-04 25 1 0 0 1 1 @@ -15696,7 +15696,7 @@ S RI_aug-TZVP-MOLOPT-ae_N_RI_107_s_p_d_f_g_h_i_7_6_5_4_2_1_0_error_4.9e-04 25 5 5 1 1 0.9858921275 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.9e-02 +# RI basis set for Cl (all-electron) relative DI metric: 2.9e-02 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.9e-02 5 1 0 0 1 1 @@ -15710,7 +15710,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.9e-02 5 2 2 1 1 1.7800077813 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 4.1e-03 +# RI basis set for Cl (all-electron) relative DI metric: 4.1e-03 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.1e-03 6 1 0 0 1 1 @@ -15726,7 +15726,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.1e-03 6 2 2 1 1 1.8137182743 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 3.1e-04 +# RI basis set for Cl (all-electron) relative DI metric: 3.1e-04 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_3.1e-04 7 1 0 0 1 1 @@ -15744,7 +15744,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_3.1e-04 7 2 2 1 1 1.0993237991 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 7.8e-05 +# RI basis set for Cl (all-electron) relative DI metric: 7.8e-05 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_7.8e-05 9 1 0 0 1 1 @@ -15766,7 +15766,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_7.8e-05 9 2 2 1 1 1.1337598088 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.1e-05 +# RI basis set for Cl (all-electron) relative DI metric: 1.1e-05 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.1e-05 10 1 0 0 1 1 @@ -15790,7 +15790,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.1e-05 10 2 2 1 1 1.0189456200 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.1e-06 +# RI basis set for Cl (all-electron) relative DI metric: 2.1e-06 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_2.1e-06 11 1 0 0 1 1 @@ -15816,7 +15816,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_2.1e-06 11 2 2 1 1 1.1367750250 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 9.5e-07 +# RI basis set for Cl (all-electron) relative DI metric: 9.5e-07 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_9.5e-07 12 1 0 0 1 1 @@ -15844,7 +15844,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_9.5e-07 12 2 2 1 1 3.3934830750 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 7.1e-08 +# RI basis set for Cl (all-electron) relative DI metric: 7.1e-08 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_046_s_p_d_f_g_h_i_6_5_5_0_0_0_0_error_7.1e-08 16 1 0 0 1 1 @@ -15880,7 +15880,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_046_s_p_d_f_g_h_i_6_5_5_0_0_0_0_error_7.1e-08 16 2 2 1 1 3.5489766667 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.4e-08 +# RI basis set for Cl (all-electron) relative DI metric: 1.4e-08 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_1.4e-08 17 1 0 0 1 1 @@ -15918,7 +15918,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_1.4e-08 17 2 2 1 1 3.5489766666 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 6.9e-09 +# RI basis set for Cl (all-electron) relative DI metric: 6.9e-09 Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_6.9e-09 18 1 0 0 1 1 @@ -15958,7 +15958,7 @@ Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_6.9e-09 18 2 2 1 1 3.5489766666 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 7.0e-03 +# RI basis set for Cl (all-electron) relative DI metric: 7.0e-03 Cl RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_7.0e-03 11 1 0 0 1 1 @@ -15984,7 +15984,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_7.0e-03 11 3 3 1 1 0.7501079429 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.3e-03 +# RI basis set for Cl (all-electron) relative DI metric: 1.3e-03 Cl RI_aug-SZV-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_1.3e-03 14 1 0 0 1 1 @@ -16016,7 +16016,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_1.3e-03 14 4 4 1 1 0.3298038429 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 3.4e-04 +# RI basis set for Cl (all-electron) relative DI metric: 3.4e-04 Cl RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_6_5_2_2_2_0_0_error_3.4e-04 17 1 0 0 1 1 @@ -16054,7 +16054,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_6_5_2_2_2_0_0_error_3.4e-04 17 4 4 1 1 2.3311468165 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.6e-04 +# RI basis set for Cl (all-electron) relative DI metric: 1.6e-04 Cl RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_6_5_3_2_2_1_0_error_1.6e-04 19 1 0 0 1 1 @@ -16096,7 +16096,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_6_5_3_2_2_1_0_error_1.6e-04 19 5 5 1 1 1.2372489257 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 6.4e-05 +# RI basis set for Cl (all-electron) relative DI metric: 6.4e-05 Cl RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_6_5_3_3_3_1_1_error_6.4e-05 22 1 0 0 1 1 @@ -16144,7 +16144,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_6_5_3_3_3_1_1_error_6.4e-05 22 6 6 1 1 1.9290113032 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.8e-05 +# RI basis set for Cl (all-electron) relative DI metric: 2.8e-05 Cl RI_aug-SZV-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_3_3_3_1_1_error_2.8e-05 24 1 0 0 1 1 @@ -16196,7 +16196,7 @@ Cl RI_aug-SZV-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_3_3_3_1_1_error_2.8e-05 24 6 6 1 1 1.9242475757 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.8e-02 +# RI basis set for Cl (all-electron) relative DI metric: 1.8e-02 Cl RI_aug-DZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_1.8e-02 14 1 0 0 1 1 @@ -16228,7 +16228,7 @@ Cl RI_aug-DZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_1.8e-02 14 4 4 1 1 0.6243390565 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.1e-03 +# RI basis set for Cl (all-electron) relative DI metric: 2.1e-03 Cl RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_6_4_4_1_1_0_0_error_2.1e-03 16 1 0 0 1 1 @@ -16264,7 +16264,7 @@ Cl RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_6_4_4_1_1_0_0_error_2.1e-03 16 4 4 1 1 1.3484642123 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 4.2e-04 +# RI basis set for Cl (all-electron) relative DI metric: 4.2e-04 Cl RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.2e-04 20 1 0 0 1 1 @@ -16308,7 +16308,7 @@ Cl RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.2e-04 20 4 4 1 1 1.2172980904 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.3e-04 +# RI basis set for Cl (all-electron) relative DI metric: 1.3e-04 Cl RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.3e-04 22 1 0 0 1 1 @@ -16356,7 +16356,7 @@ Cl RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.3e-04 22 4 4 1 1 1.6491856286 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.6e-05 +# RI basis set for Cl (all-electron) relative DI metric: 2.6e-05 Cl RI_aug-DZVP-MOLOPT-ae_N_RI_114_s_p_d_f_g_h_i_7_6_5_4_4_0_0_error_2.6e-05 26 1 0 0 1 1 @@ -16412,7 +16412,7 @@ Cl RI_aug-DZVP-MOLOPT-ae_N_RI_114_s_p_d_f_g_h_i_7_6_5_4_4_0_0_error_2.6e-05 26 4 4 1 1 2.1887627489 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 2.5e-02 +# RI basis set for Cl (all-electron) relative DI metric: 2.5e-02 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_2.5e-02 14 1 0 0 1 1 @@ -16444,7 +16444,7 @@ Cl RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_2.5e-02 14 4 4 1 1 0.6070604168 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.1e-02 +# RI basis set for Cl (all-electron) relative DI metric: 1.1e-02 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_4_1_1_0_0_error_1.1e-02 17 1 0 0 1 1 @@ -16482,7 +16482,7 @@ Cl RI_aug-TZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_4_1_1_0_0_error_1.1e-02 17 4 4 1 1 1.1436987628 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 4.9e-03 +# RI basis set for Cl (all-electron) relative DI metric: 4.9e-03 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_4.9e-03 18 1 0 0 1 1 @@ -16522,7 +16522,7 @@ Cl RI_aug-TZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_4.9e-03 18 4 4 1 1 1.0746967009 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 1.9e-03 +# RI basis set for Cl (all-electron) relative DI metric: 1.9e-03 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.9e-03 21 1 0 0 1 1 @@ -16568,7 +16568,7 @@ Cl RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.9e-03 21 5 5 1 1 1.9911109456 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 8.6e-04 +# RI basis set for Cl (all-electron) relative DI metric: 8.6e-04 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_6_4_4_2_1_0_error_8.6e-04 24 1 0 0 1 1 @@ -16620,7 +16620,7 @@ Cl RI_aug-TZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_6_4_4_2_1_0_error_8.6e-04 24 5 5 1 1 0.8845719378 1.0000000000 -# RI basis set for Cl (all-electron) relative accuracy of RI-MP2: 4.3e-04 +# RI basis set for Cl (all-electron) relative DI metric: 4.3e-04 Cl RI_aug-TZVP-MOLOPT-ae_N_RI_116_s_p_d_f_g_h_i_7_6_5_4_3_1_0_error_4.3e-04 26 1 0 0 1 1